Interatomic Potentials Repository

Warning! Note that elemental potentials taken from alloy descriptions may not work well for the pure species. This is particularly true if the elements were fit for compounds instead of being optimized separately. As with all interatomic potentials, please check to make sure that the performance is adequate for your problem.

1990--Vashishta-P-Kalia-R-K-Rino-J-P-Ebbsjo-I--Si-O

Citation: P. Vashishta, R.K. Kalia, J.P. Rino, and I. Ebbsjö (1990), "Interaction potential for SiO₂: A molecular-dynamics study of structural correlations", Physical Review B 41(17), 12197-12209. DOI: 10.1103/physrevb.41.12197.

Abstract: An interaction potential consisting of two-body and three-body covalent interactions is proposed for SiO₂. The interaction potential is used in molecular-dynamics studies of structural and dynamical correlations of crystalline, molten, and vitreous states under various conditions of densities and temperatures. The two-body contribution to the interaction potential consists of steric repulsion due to atomic sizes, Coulomb interactions resulting from charge transfer, and charge-dipole interaction to include the effects of large electronic polarizability of anions. The three-body covalent contributions include O-Si-O and Si-O-Si interactions which are angle dependent and functions of Si-O distance. In lattice-structure calculations with the total potential function, α-cristobalite and α-quartz are found to have the lowest and almost degenerate energies, in agreement with experiments. The energies for β-cristobalite, β-quartz, and keatite are found to be higher than those for α-cristobalite and α-quartz. Molecular-dynamics calculations with this potential function correctly describe the short- and intermediate-range order in molten and vitreous states.\nIn the latter, partial pair-distribution functions give Si-O, O-O, and Si-Si bond lengths of 1.62, 2.65, and 3.05 Å, respectively. The vitreous state consists of nearly ideal Si(O_1/2)₄ tetrahedra in corner-sharing configurations. The Si-O-Si bond-angle distribution has a peak at 142° and a full width at half maximum (FWHM) of 25° in good agreement with nuclear magnetic resonance experiments. The calculated static structure factor is also in agreement with neutron-diffraction experiments. Partial static structure factors reveal that intermediate-range Si-Si, O-O, and Si-O correlations between 4 and 8 Å give rise to the first sharp diffraction peak (FSDP). The FSDP is absent in charge-charge structure factor, which indicates that charge neutrality prevails over length scales between 4 and 8 Å. Dynamical correlations in vitreous and molten states, phonon densities of states of crystalline and vitreous SiO₂, infrared spectra of crystalline, vitreous and molten states, isotope effect, distribution of rings and their structure in molten and vitreous states, and structural transformations at high pressures will be discussed in subsequent papers.

Related Models:
LAMMPS pair_style vashishta (1990--Vashishta-P--Si-O--LAMMPS--ipr1)

See Computed Properties
Notes: This file was taken from the August 22, 2018 LAMMPS distribution.
File(s):
SiO.1990.vashishta

Implementation Information

This page displays computed properties for the 1990--Vashishta-P--Si-O--LAMMPS--ipr1 implementation of the 1990--Vashishta-P-Kalia-R-K-Rino-J-P-Ebbsjo-I--Si-O potential. Computed values for other implementations can be seen by clicking on the links below:

1990--Vashishta-P--Si-O--LAMMPS--ipr1

Diatom Energy vs. Interatomic Spacing

Plots of the potential energy vs interatomic spacing, r, are shown below for all diatom sets associated with the interatomic potential. This calculation provides insights into the functional form of the potential's two-body interactions. A system consisting of only two atoms is created, and the potential energy is evaluated for the atoms separated by 0.02 Å <= r <= 6.0> Å in intervals of 0.02 Å. Two plots are shown: one for the "standard" interaction distance range, and one for small values of r. The small r plot is useful for determining whether the potential is suitable for radiation studies.

The calculation method used is available as the iprPy diatom_scan calculation method.

Clicking on the image of a plot will open an interactive version of it in a new tab. The underlying data for the plots can be downloaded by clicking on the links above each plot.

Notes and Disclaimers:

These values are meant to be guidelines for comparing potentials, not the absolute values for any potential's properties. Values listed here may change if the calculation methods are updated due to improvements/corrections. Variations in the values may occur for variations in calculation methods, simulation software and implementations of the interatomic potentials.
As this calculation only involves two atoms, it neglects any multi-body interactions that may be important in molecules, liquids and crystals.
NIST disclaimer

Version Information:

2019-11-14. Maximum value range on the shortrange plots are now limited to "expected" levels as details are otherwise lost.
2019-08-07. Plots added.

Download data

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1990--Vashishta-P--Si-O--LAMMPS--ipr1/diatom

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1990--Vashishta-P--Si-O--LAMMPS--ipr1/diatom_short

Cohesive Energy vs. Interatomic Spacing

Plots of potential energy vs interatomic spacing, r, are shown below for a number of crystal structures. The structures are generated based on the ideal atomic positions and b/a and c/a lattice parameter ratios for a given crystal prototype. The size of the system is then uniformly scaled, and the energy calculated without relaxing the system. To obtain these plots, values of r are evaluated every 0.02 Å up to 6 Å.

The calculation method used is available as the iprPy E_vs_r_scan calculation method.

Clicking on the image of a plot will open an interactive version of it in a new tab. The underlying data for the plots can be downloaded by clicking on the links above each plot.

Notes and Disclaimers:

These values are meant to be guidelines for comparing potentials, not the absolute values for any potential's properties. Values listed here may change if the calculation methods are updated due to improvements/corrections. Variations in the values may occur for variations in calculation methods, simulation software and implementations of the interatomic potentials.
The minima identified by this calculation do not guarantee that the associated crystal structures will be stable since no relaxation is performed.
NIST disclaimer

Version Information:

2020-12-18. Descriptions, tables and plots updated to reflect that the energy values are the measuredper atom potential energy rather than cohesive energy as some potentials have non-zero isolated atom energies.
2019-02-04. Values regenerated with even r spacings of 0.02 Å, and now include values less than 2 Å when possible. Updated calculation method and parameters enhance compatibility with more potential styles.
2019-04-26. Results for hcp, double hcp, α-As and L1₀ prototypes regenerated from different unit cell representations. Only α-As results show noticable (>1e-5 eV) difference due to using a different coordinate for Wykoff site c position.
2018-06-13. Values for MEAM potentials corrected. Dynamic versions of the plots moved to separate pages to improve page loading. Cosmetic changes to how data is shown and updates to the documentation.
2017-01-11. Replaced png pictures with interactive Bokeh plots. Data regenerated with 200 values of r instead of 300.
2016-09-28. Plots for binary structures added. Data and plots for elemental structures regenerated. Data values match the values of the previous version. Data table formatting slightly changed to increase precision and ensure spaces between large values. Composition added to plot title and structure names made longer.
2016-04-07. Plots for elemental structures added.

Select a composition:

Download data

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1990--Vashishta-P--Si-O--LAMMPS--ipr1/EvsR.O

Crystal Structure Predictions

Computed lattice constants and cohesive/potential energies are displayed for a variety of crystal structures. The values displayed here are obtained using the following process.

Initial crystal structure guesses are taken from:
1. The iprPy E_vs_r_scan calculation results (shown above) by identifying all energy minima along the measured curves for a given crystal prototype + composition.
2. Structures in the Materials Project and OQMD DFT databases.
All initial guesses are relaxed using three independent methods using a 10x10x10 supercell:
1. "box": The system's lattice constants are adjusted to zero pressure without internal relaxations using the iprPy relax_box calculation with a strainrange of 1e-6.
2. "static": The system's lattice and atomic positions are statically relaxed using the iprPy relax_static calculation with a minimization force tolerance of 1e-10 eV/Angstrom.
3. "dynamic": The system's lattice and atomic positions are dynamically relaxed for 10000 timesteps of 0.01 ps using the iprPy relax_dynamic calculation with an nph integration plus Langevin thermostat. The final configuration is then used as input in running an iprPy relax_static calculation with a minimization force tolerance of 1e-10 eV/Angstrom.
The relaxed structures obtained from #2 are then evaluated using the spglib package to identify an ideal crystal unit cell based on the results.
The space group information of the ideal unit cells is compared to the space group information of the corresponding reference structures to identify which structures transformed upon relaxation. The structures that did not transform to a different structure are listed in the table(s) below. The "method" field indicates the most rigorous relaxation method where the structure did not transform. The space group information is also used to match the DFT reference structures to the used prototype, where possible.
The cohesive energy, E_coh, is calculated from the measured potential energy per atom, E_pot$, by subtracting the isolated energy averaged across all atoms in the unit cell. The isolated atom energies of each species model is obtained either by evaluating a single atom atomic configuration, or by identifying the first energy plateau from the diatom scan calculations for r > 2 Å.

The calculation methods used are implemented into iprPy as the following calculation styles

Notes and Disclaimers:

These values are meant to be guidelines for comparing potentials, not the absolute values for any potential's properties. Values listed here may change if the calculation methods are updated due to improvements/corrections. Variations in the values may occur for variations in calculation methods, simulation software and implementations of the interatomic potentials.
The presence of any structures in this list does not guarantee that those structures are stable. Also, the lowest energy structure may not be included in this list.
Multiple values for the same crystal structure but different lattice constants are possible. This is because multiple energy minima are possible for a given structure and interatomic potential. Having multiple energy minima for a structure does not necessarily make the potential "bad" as unwanted configurations may be unstable or correspond to conditions that may not be relevant to the problem of interest (eg. very high strains).
NIST disclaimer

Version Information:

2025-07-02. All "mp-" reference structure calculations were re-relaxed using the updated Materials Project database rather than the original database structures. Also, a bug was fixed that caused the "static" relaxations to occasionally throw unnecessary errors. This was fixed and all affected calculations were reset and performed again.
2022-05-27. The "box" method results have all been redone with an updated methodology more suited for non-orthogonal systems.
2020-12-18. Cohesive energies have been corrected by making them relative to the energies of the isolated atoms. The previous cohesive energy values are now listed as the potential energies.
2019-06-07. Structures with positive or near zero cohesive energies removed from the display tables. All values still present in the raw data files.
2019-04-26. Calculations now computed for each implementation. Results for hcp, double hcp, α-As and L1₀ prototypes regenerated from different unit cell representations.
2018-06-14. Methodology completely changed affecting how the information is displayed. Calculations involving MEAM potentials corrected.
2016-09-28. Values for simple compounds added. All identified energy minima for each structure are listed. The existing elemental data was regenerated. Most values are consistent with before, but some differences have been noted. Specifically, variations are seen with some values for potentials where the elastic constants don't vary smoothly near the equilibrium state. Additionally, the inclusion of some high-energy structures has changed based on new criteria for identifying when structures have relaxed to another structure.
2016-04-07. Values for elemental crystal structures added. Only values for the global energy minimum of each unique structure given.

Select a composition:

Download raw data (including filtered results)

Reference structure matches:
A1--Cu--fcc = oqmd-1214552
A15--beta-W = oqmd-1214997
A2--W--bcc = oqmd-1215175
A3'--alpha-La--double-hcp = oqmd-1215443
A3--Mg--hcp = oqmd-1215353
A4--C--dc = mp-1057818, oqmd-1215532
A5--beta-Sn = oqmd-1215621
A6--In--bct = oqmd-1215710
A7--alpha-As = mp-610917, oqmd-8088, oqmd-36776, oqmd-114513, oqmd-1215799

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
oqmd-47818	dynamic	-0.0	-0.0	17.2422	10.1345	17.249	90.0	107.7	90.0
oqmd-1215264	dynamic	-0.0	-0.0	10.185	25.0488	13.6742	90.0	90.0	90.0
A1--Cu--fcc	dynamic	-0.0	-0.0	14.1421	14.1421	14.1421	90.0	90.0	90.0
A7--alpha-As	dynamic	-0.0	-0.0	10.0	10.0	834.9243	90.0	90.0	120.0
mp-1066100	dynamic	-0.0	-0.0	10.0	10.0	674.5676	90.0	90.0	120.0
oqmd-6836	static	-0.0	-0.0	10.641	16.9343	57.1547	90.0	90.0	90.0
mp-607540	dynamic	-0.0	-0.0	10.8853	16.7783	545.2108	90.0	90.0	90.0
A4--C--dc	dynamic	-0.0	-0.0	23.094	23.094	23.094	90.0	90.0	90.0
A7--alpha-As	dynamic	-0.0	-0.0	10.0011	10.0011	54.4935	90.0	90.0	120.0
mp-1180064	dynamic	-0.0	-0.0	10.0	65.8687	69.3978	88.0	88.5	87.6
mp-607540	static	-0.0	-0.0	11.2731	16.5202	63.3556	90.0	90.0	90.0
mp-12957	dynamic	-0.0	-0.0	20.0	20.0	335.19	90.0	91.4	90.0
mp-1180036	dynamic	-0.0	-0.0	134.2112	10.0	18.0849	90.0	90.7	90.0
mp-1102442	dynamic	-0.0	-0.0	69.0633	69.0633	10.0	90.0	90.0	90.0
mp-1066100	static	-0.0	-0.0	10.0	10.0	64.0037	90.0	90.0	120.0
A6--In--bct	dynamic	-0.0	-0.0	10.0	10.0	15.8324	90.0	90.0	90.0
oqmd-16142	dynamic	-0.0	-0.0	10.0	16.1511	10.0041	90.0	106.1	90.0
mp-611836	static	-0.0	-0.0	20.6627	10.0	30.3366	90.0	100.3	90.0
A7--alpha-As	dynamic	0.0	0.0	10.0021	10.0021	54.4923	90.0	90.0	120.0
mp-560602	dynamic	0.0	0.0	48.796	62.2047	67.691	90.0	90.0	90.0
oqmd-1214641	dynamic	0.0	0.0	13.7327	13.7327	18.2822	90.0	90.0	120.0
mp-1058623	dynamic	0.0	0.0	15.7745	12.4015	16.854	90.0	90.0	90.0
A2--W--bcc	dynamic	0.0	0.0	11.547	11.547	11.547	90.0	90.0	90.0
mp-1180008	dynamic	0.0	0.0	10.6226	60.721	70.0604	84.7	85.7	87.4
mp-1087546	dynamic	0.0	0.0	19.8684	33.0206	172.4717	90.0	92.0	90.0
mp-1023923	dynamic	0.0	0.0	38.2738	38.2738	28.7525	90.0	90.0	120.0
mp-1180050	dynamic	0.0	0.0	49.5873	20.037	39.287	90.0	128.6	90.0
oqmd-6836	dynamic	0.0	0.0	12.6066	15.5271	35.5282	90.0	90.0	90.0
oqmd-20846	static	0.0	0.0	10.0	10.0	56.7681	90.0	90.0	120.0
A3'--alpha-La--double-hcp	dynamic	0.0	0.0	11.6518	11.6518	29.596	90.0	90.0	120.0
mp-1180064	static	0.0	0.0	18.6901	41.5605	42.2013	90.3	90.6	90.8
mp-1102442	static	0.0	0.0	36.556	36.556	19.1068	90.0	90.0	90.0
oqmd-20034	static	0.0	0.0	38.9444	24.6884	24.0231	90.0	113.7	90.0
oqmd-20846	dynamic	0.0	0.0	10.0028	10.0028	36.3275	90.0	90.0	120.0
oqmd-1214908	static	0.0	0.0	38.4483	38.4483	38.4483	90.0	90.0	90.0
mp-12957	static	0.0	0.0	41.4691	26.809	28.7671	90.0	108.4	90.0
mp-1180008	static	0.0	0.0	19.4634	38.4166	39.9276	90.0	89.2	88.6
oqmd-1214730	dynamic	0.0	0.0	14.0507	14.2337	34.2325	90.0	90.0	90.0
A15--beta-W	static	0.0	0.0	19.9997	19.9997	19.9997	90.0	90.0	90.0
oqmd-1214730	static	0.0	0.0	13.9561	14.3327	53.219	90.0	90.0	90.0
oqmd-114511	static	0.0	0.0	17.2661	10.0937	27.4921	90.0	108.2	90.0
oqmd-1215264	static	0.0	0.0	10.0	20.306	19.068	90.0	90.0	90.0
mp-1180036	static	0.0	0.0	25.578	16.3966	15.5268	90.0	102.3	90.0
oqmd-16142	static	0.0	0.0	9.9998	17.6749	10.4622	90.0	112.1	90.0
oqmd-1215888	static	0.0	0.0	12.1278	12.1278	27.7501	90.0	90.0	120.0
mp-1058623	static	0.0	0.0	9.9997	17.7741	17.1437	90.0	90.0	90.0
mp-1087546	static	0.0	0.0	39.9235	32.7784	20.3238	90.0	118.4	90.0
mp-1009490	static	0.0	0.0	14.7176	13.7676	28.2145	90.0	90.7	90.0
oqmd-9092	static	0.0	0.0	43.8791	66.3734	48.9942	90.0	90.0	90.0
mp-560602	static	0.0	0.0	46.9289	65.9896	56.3848	90.0	90.0	90.0
oqmd-47818	static	0.0	0.0	17.774	10.0202	29.4582	90.0	93.2	90.0
A3'--alpha-La--double-hcp	static	0.0	0.0	12.202	12.202	28.3877	90.0	90.0	120.0
oqmd-1214908	dynamic	0.0	0.0	25.6628	25.6628	25.6628	90.0	90.0	90.0
oqmd-1214641	static	0.0	0.0	14.0642	14.0642	17.5086	90.0	90.0	120.0
mp-1180050	static	0.0	0.0	43.6722	35.2543	19.8343	90.0	100.8	90.0
A15--beta-W	dynamic	0.0	0.0	19.9985	19.9985	19.9985	90.0	90.0	90.0
A6--In--bct	static	0.0	0.0	9.9995	9.9995	16.2677	90.0	90.0	90.0
A2--W--bcc	static	0.0	0.0	11.5466	11.5466	11.5466	90.0	90.0	90.0
A4--C--dc	static	0.0	0.0	23.0927	23.0927	23.0927	90.0	90.0	90.0
A1--Cu--fcc	static	0.0	0.0	14.1412	14.1412	14.1412	90.0	90.0	90.0

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
mp-1221354	dynamic	-8.2555	-8.2555	17.2523	17.352	24.5668	90.0	90.0	90.0
mp-1221354	static	-8.2501	-8.2501	17.3074	17.3219	24.553	90.0	90.0	90.0
mp-1221354	box	-8.2284	-8.2284	17.1505	17.1627	24.3183	90.0	90.0	90.0

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
mp-530027	box	-6.9965	-6.9965	13.2639	13.2639	11.7004	90.0	90.0	120.0
mp-673849	box	-4.4638	-4.4638	12.6504	11.2392	16.7823	90.0	106.5	90.0
mp-1173536	box	-4.1067	-4.1067	13.8102	11.3043	16.7463	90.0	101.6	90.0

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
mp-1199711	static	-8.3828	-8.3828	14.1259	14.3498	19.7583	90.0	106.6	90.0
mp-1199711	box	-7.8479	-7.8479	14.052	14.0982	18.9042	90.0	103.9	90.0

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
mp-12787	dynamic	-9.1806	-9.1806	13.4285	4.7567	8.3652	90.0	128.1	90.0
mp-640917	dynamic	-9.1804	-9.1804	4.8291	4.8291	5.3087	90.0	90.0	120.0
mp-6930	static	-9.1804	-9.1804	4.8293	4.8293	5.3087	90.0	90.0	120.0
mp-11684	dynamic	-9.1795	-9.1795	7.0413	12.4385	7.0542	90.0	118.5	90.0
mp-11684	static	-9.1795	-9.1795	7.041	12.4399	7.0559	90.0	118.5	90.0
mp-12787	static	-9.1779	-9.1779	13.5212	4.7802	8.5175	90.0	128.9	90.0
mp-1201738	static	-9.1733	-9.1733	7.0843	24.8672	7.0844	90.0	119.0	90.0
mp-7000	box	-9.1722	-9.1722	4.8922	4.8922	5.35	90.0	90.0	120.0
mp-6930	box	-9.1714	-9.1714	4.8939	4.8939	5.3524	90.0	90.0	120.0
mp-11684	box	-9.166	-9.166	7.0737	12.3585	7.082	90.0	119.1	90.0
mp-6945	dynamic	-9.1646	-9.1646	4.8638	4.8638	6.0893	90.0	90.0	90.0
mp-12787	box	-9.1623	-9.1623	13.6561	4.8289	8.6947	90.0	129.3	90.0
mp-1201738	box	-9.1526	-9.1526	7.1449	24.7025	7.1071	90.0	119.7	90.0
mp-556882	dynamic	-9.1408	-9.1408	8.6268	7.8149	8.6555	90.0	91.0	90.0
mp-556882	static	-9.1408	-9.1408	8.6269	7.815	8.6555	90.0	91.0	90.0
mp-560203	dynamic	-9.1391	-9.1391	8.6087	10.1201	4.8602	90.0	90.0	90.0
mp-560203	static	-9.1391	-9.1391	8.6089	10.1212	4.86	90.0	90.0	90.0
mp-669426	dynamic	-9.1364	-9.1364	8.1025	4.6964	9.1835	90.0	122.2	90.0
mp-669426	static	-9.1363	-9.1363	8.1088	4.7217	9.2483	90.0	122.7	90.0
mp-555740	dynamic	-9.1343	-9.1343	8.3893	8.3893	8.3893	90.0	90.0	90.0
mp-555165	dynamic	-9.1335	-9.1335	8.6573	8.6573	15.5612	90.0	90.0	90.0
mp-557118	static	-9.1324	-9.1324	7.2216	8.4315	4.7879	90.0	90.0	90.0
mp-560203	box	-9.1323	-9.1323	8.6287	10.3993	4.7959	90.0	90.0	90.0
mp-555165	static	-9.1313	-9.1313	8.7339	8.7339	15.5849	90.0	90.0	90.0
mp-555740	box	-9.1294	-9.1294	8.4028	8.4028	8.4028	90.0	90.0	90.0
mp-554089	dynamic	-9.1184	-9.1184	4.9458	6.236	4.8391	90.0	90.0	90.0
mp-556882	box	-9.1181	-9.1181	8.7783	7.8438	8.7799	90.0	90.3	90.0
mp-557837	static	-9.117	-9.117	8.8102	4.5328	8.431	90.0	117.9	90.0
mp-985570	dynamic	-9.1153	-9.1153	4.937	7.9512	9.0233	90.0	118.7	90.0
mp-985570	static	-9.1153	-9.1153	4.9371	7.9512	9.0233	90.0	118.7	90.0
mp-640556	dynamic	-9.1128	-9.1128	17.8414	4.8545	22.3141	90.0	107.3	90.0
mp-555165	box	-9.1127	-9.1127	8.8372	8.8372	15.799	90.0	90.0	90.0
mp-640556	static	-9.1098	-9.1098	17.9833	4.862	22.557	90.0	107.4	90.0
mp-7648	dynamic	-9.1028	-9.1028	4.6367	8.6289	7.8953	90.0	90.0	90.0
mp-972808	static	-9.1026	-9.1026	4.6382	7.8977	4.8885	90.0	118.0	90.0
mp-556961	box	-9.1021	-9.1021	6.7578	6.9983	7.0024	90.0	90.0	90.0
mp-6922	static	-9.1019	-9.1019	5.0383	5.0383	5.5237	90.0	90.0	120.0
mp-6922	box	-9.1017	-9.1017	5.03	5.03	5.5276	90.0	90.0	120.0
mp-10851	box	-9.1017	-9.1017	5.0297	5.0297	5.5277	90.0	90.0	120.0
mp-733790	dynamic	-9.0994	-9.0994	8.1628	8.241	15.9888	92.0	90.3	119.4
mp-557118	box	-9.0978	-9.0978	7.9332	8.5383	4.7448	90.0	90.0	90.0
mp-733790	static	-9.097	-9.097	8.2134	8.3073	16.1419	92.0	90.1	119.6
mp-7029	box	-9.096	-9.096	4.967	4.967	6.7895	90.0	90.0	90.0
mp-559872	box	-9.0954	-9.0954	7.4948	7.4948	8.6554	90.0	90.0	90.0
mp-669426	box	-9.0953	-9.0953	8.4434	4.8769	9.7479	90.0	123.8	90.0
mp-546794	dynamic	-9.0934	-9.0934	4.5008	4.5008	7.5254	90.0	90.0	90.0
mp-546794	static	-9.0934	-9.0934	4.5009	4.5009	7.5253	90.0	90.0	90.0
mp-557465	static	-9.0929	-9.0929	4.7367	8.0262	8.4587	90.0	90.0	90.0
mp-8059	static	-9.0921	-9.0921	6.8121	6.8121	6.8121	90.0	90.0	90.0
mp-559347	static	-9.0916	-9.0916	8.9362	8.9362	8.0268	90.0	90.0	90.0
mp-557465	box	-9.0901	-9.0901	4.7094	8.0478	8.4584	90.0	90.0	90.0
mp-558891	static	-9.0887	-9.0887	10.0514	10.0514	10.0514	90.0	90.0	90.0
mp-555235	dynamic	-9.0884	-9.0884	4.9288	8.2128	7.9992	90.0	94.0	90.0
mp-555235	static	-9.0884	-9.0884	4.9282	8.2135	7.9996	90.0	94.0	90.0
mp-6945	box	-9.0879	-9.0879	4.984	4.984	6.8345	90.0	90.0	90.0
mp-558891	box	-9.0876	-9.0876	10.0797	10.0797	10.0797	90.0	90.0	90.0
mp-559347	box	-9.0873	-9.0873	8.9147	8.9147	8.0293	90.0	90.0	90.0
mp-555483	static	-9.086	-9.086	4.734	9.3305	14.6763	90.0	90.0	90.0
mp-555891	static	-9.0849	-9.0849	4.7171	7.7913	4.841	90.0	115.3	90.0
mp-554573	dynamic	-9.084	-9.084	8.0891	8.6664	4.6893	90.0	90.0	90.0
mp-554573	static	-9.084	-9.084	8.0891	8.6664	4.6892	90.0	90.0	90.0
mp-555483	box	-9.084	-9.084	4.7015	9.3556	14.6873	90.0	90.0	90.0
mp-985570	box	-9.0837	-9.0837	5.1045	8.112	9.3208	90.0	119.9	90.0
mp-542814	static	-9.0821	-9.0821	4.7346	8.0315	25.7432	90.0	90.0	90.0
mp-557930	static	-9.0791	-9.0791	9.1879	9.1879	7.5296	90.0	90.0	90.0
mp-554089	box	-9.0706	-9.0706	5.0317	6.9061	5.019	90.0	90.0	90.0
mp-640556	box	-9.0701	-9.0701	18.4719	4.9802	23.6953	90.0	106.0	90.0
mp-559550	dynamic	-9.0694	-9.0694	11.9598	11.9598	5.5747	90.0	90.0	120.0
mp-733790	box	-9.0677	-9.0677	8.545	8.6184	16.3781	91.5	90.0	119.7
mp-546794	box	-9.0624	-9.0624	4.9088	4.9088	7.3701	90.0	90.0	90.0
mp-600059	dynamic	-9.0616	-9.0616	12.9007	12.9007	4.7775	90.0	90.0	90.0
mp-600059	static	-9.0616	-9.0616	12.9007	12.9007	4.7774	90.0	90.0	90.0
mp-557837	box	-9.0612	-9.0612	8.9123	4.8237	8.7395	90.0	113.4	90.0
mp-985590	static	-9.0609	-9.0609	4.8187	8.7419	7.9535	90.0	90.0	90.0
mp-554573	box	-9.0608	-9.0608	8.2329	8.7876	4.9304	90.0	90.0	90.0
mp-972808	box	-9.0583	-9.0583	4.8917	8.1611	4.9754	90.0	118.1	90.0
mp-8059	box	-9.0569	-9.0569	7.0594	7.0594	7.0594	90.0	90.0	90.0
mp-556654	static	-9.0531	-9.0531	13.5992	4.8096	16.8589	90.0	106.4	90.0
mp-542814	box	-9.0529	-9.0529	4.8812	8.2372	26.3401	90.0	90.0	90.0
mp-559550	static	-9.0514	-9.0514	12.0881	12.0881	5.9229	90.0	90.0	120.0
mp-680204	static	-9.0494	-9.0494	7.1765	9.4511	15.6661	106.5	90.7	91.2
mp-555235	box	-9.048	-9.048	5.0259	8.6204	8.2943	90.0	92.0	90.0
mp-16964	static	-9.0459	-9.0459	13.8469	16.8968	4.8632	90.0	90.0	90.0
mp-556218	static	-9.0453	-9.0453	14.0019	16.8064	4.8711	90.0	90.0	90.0
mp-557930	box	-9.0451	-9.0451	9.1115	9.1115	8.19	90.0	90.0	90.0
mp-556469	dynamic	-9.0422	-9.0422	4.8565	11.9662	14.8319	102.4	91.3	101.4
mp-556469	static	-9.0422	-9.0422	4.8559	11.9871	14.8262	102.5	91.3	101.4
mp-555147	dynamic	-9.0415	-9.0415	6.6756	7.8889	5.4717	90.0	98.6	90.0
mp-555147	static	-9.0415	-9.0415	6.6756	7.8889	5.4717	90.0	98.6	90.0
mp-600059	box	-9.0391	-9.0391	13.0098	13.0098	4.9643	90.0	90.0	90.0
mp-556454	static	-9.0358	-9.0358	15.8341	20.0133	4.8523	90.0	90.0	90.0
mp-559091	static	-9.0351	-9.0351	4.8821	4.8821	8.5354	90.0	90.0	120.0
mp-646895	dynamic	-9.0316	-9.0316	4.8531	33.3662	20.8233	90.0	90.9	90.0
mp-646895	static	-9.0314	-9.0314	4.8552	33.3736	20.8747	90.0	91.0	90.0
mp-560708	dynamic	-9.0306	-9.0306	11.6176	8.229	14.8897	90.0	105.5	90.0
mp-560708	static	-9.0306	-9.0306	11.6188	8.2287	14.8898	90.0	105.5	90.0
mp-985590	box	-9.0305	-9.0305	4.9369	8.7173	8.6542	90.0	90.0	90.0
mp-667383	dynamic	-9.0291	-9.0291	22.9242	8.0554	16.3012	90.0	117.2	90.0
mp-553945	static	-9.0278	-9.0278	13.753	4.8506	24.4698	90.0	90.0	90.0
mp-600084	static	-9.0267	-9.0267	14.6587	27.0052	8.1469	90.0	90.0	90.0
mp-651707	box	-9.0261	-9.0261	4.9855	12.5886	23.8261	100.8	96.0	101.4
mp-662706	static	-9.026	-9.026	29.872	8.076	12.3757	90.0	107.5	90.0
mp-554151	box	-9.0258	-9.0258	8.7166	8.7166	4.9798	90.0	90.0	90.0
mp-556654	box	-9.0244	-9.0244	13.826	4.9431	17.2715	90.0	106.1	90.0
mp-667371	static	-9.0243	-9.0243	11.8042	28.62	8.1712	90.0	90.0	90.0
mp-667373	dynamic	-9.0232	-9.0232	8.0131	12.5465	28.2692	90.0	90.0	90.0
mp-556553	static	-9.0225	-9.0225	6.7006	7.8822	5.543	90.0	99.5	90.0
mp-667373	static	-9.02	-9.02	8.1049	12.4104	28.4974	90.0	90.0	90.0
mp-16964	box	-9.0192	-9.0192	13.9095	17.3629	5.0122	90.0	90.0	90.0
mp-556218	box	-9.0182	-9.0182	14.0182	17.246	5.0343	90.0	90.0	90.0
mp-680204	box	-9.0178	-9.0178	7.3542	9.5858	16.068	72.7	89.5	88.3
mp-600052	static	-9.0178	-9.0178	9.7028	25.2642	8.1317	90.0	90.0	90.0
mp-1250551	static	-9.0174	-9.0174	13.438	23.7389	17.7757	90.0	90.0	90.0
mp-558200	static	-9.0168	-9.0168	6.8695	6.8695	6.9757	90.0	90.0	90.0
mp-1200292	dynamic	-9.016	-9.016	13.2771	19.6326	23.1859	90.0	123.1	90.0
mp-1200292	static	-9.0157	-9.0157	13.2783	19.6812	23.1955	90.0	123.1	90.0
mp-555251	static	-9.0155	-9.0155	10.5373	7.5211	4.8312	90.0	90.0	90.0
mp-562490	static	-9.0146	-9.0146	11.2337	7.6847	4.8613	90.0	112.4	90.0
mp-557264	box	-9.0136	-9.0136	8.8173	8.4416	10.3419	90.0	90.0	90.0
mp-556469	box	-9.0132	-9.0132	4.9968	12.5681	14.7986	103.2	91.1	100.7
mp-7648	box	-9.0124	-9.0124	4.9914	9.0907	8.1751	90.0	90.0	90.0
mp-556262	dynamic	-9.0124	-9.0124	7.1293	10.8451	11.1895	100.7	94.0	97.4
mp-600084	box	-9.0122	-9.0122	14.6543	27.4116	8.2817	90.0	90.0	90.0
mp-555556	box	-9.012	-9.012	9.7109	9.7361	8.2961	90.0	90.0	90.0
mp-554682	dynamic	-9.0085	-9.0085	19.5661	19.5661	13.2728	90.0	90.0	90.0
mp-667376	static	-9.008	-9.008	8.2758	24.4542	28.8612	90.0	90.0	90.0
mp-600014	dynamic	-9.0079	-9.0079	7.2309	12.4053	13.8948	90.0	90.0	90.0
mp-600014	static	-9.0079	-9.0079	7.2312	12.4049	13.8948	90.0	90.0	90.0
mp-557004	dynamic	-9.0075	-9.0075	7.8853	8.79	8.8264	116.2	93.7	103.2
mp-560152	dynamic	-9.0073	-9.0073	10.7776	10.7776	4.8358	90.0	90.0	90.0
mp-560152	static	-9.0073	-9.0073	10.778	10.778	4.8357	90.0	90.0	90.0
mp-554682	static	-9.0071	-9.0071	19.6772	19.6772	13.2757	90.0	90.0	90.0
mp-667448	dynamic	-9.007	-9.007	19.711	19.711	13.3118	90.0	90.0	90.0
mp-557933	static	-9.0069	-9.0069	8.2021	14.5183	20.1975	90.0	90.0	90.0
mp-667377	static	-9.0063	-9.0063	8.2891	24.3057	28.9387	90.0	90.0	90.0
mp-559091	box	-9.0061	-9.0061	5.0551	5.0551	8.5443	90.0	90.0	120.0
mp-558569	dynamic	-9.0058	-9.0058	13.698	13.698	17.6017	90.0	90.0	120.0
mp-554946	static	-9.0054	-9.0054	19.4586	19.9243	13.2197	90.0	90.0	90.0
mp-556454	box	-9.0046	-9.0046	16.3741	20.1715	5.0422	90.0	90.0	90.0
mp-600031	static	-9.0043	-9.0043	8.1377	18.6529	13.119	90.0	90.0	90.0
mp-667383	static	-9.0036	-9.0036	24.6234	8.3431	16.6354	90.0	119.3	90.0
mp-662706	box	-9.0025	-9.0025	30.1391	8.3378	12.4452	90.0	106.4	90.0
mp-557894	dynamic	-9.002	-9.002	7.182	21.6373	11.2945	90.0	93.4	90.0
mp-667371	box	-9.0019	-9.0019	12.36	28.7169	8.3261	90.0	90.0	90.0
mp-557894	static	-9.0014	-9.0014	7.1788	21.6916	11.3379	90.0	93.2	90.0
mp-560920	static	-9.0006	-9.0006	19.2509	22.1086	8.0681	90.0	90.0	90.0
mp-558025	static	-9.0005	-9.0005	7.2859	13.9167	18.3494	90.0	90.0	90.0
mp-667368	static	-9.0001	-9.0001	8.1058	19.1372	22.6456	90.0	90.0	90.0
mp-556262	static	-9.0	-9.0	7.2116	11.1861	11.4938	103.8	92.6	96.4
mp-600006	static	-8.9999	-8.9999	8.4829	8.4829	13.9672	90.0	90.0	90.0
mp-530546	static	-8.9995	-8.9995	16.5516	16.5516	12.4951	90.0	90.0	120.0
mp-600052	box	-8.9975	-8.9975	9.722	25.64	8.3389	90.0	90.0	90.0
mp-558200	box	-8.9975	-8.9975	6.8242	6.8242	6.9645	90.0	90.0	90.0
mp-600076	static	-8.9974	-8.9974	8.4012	8.4012	28.2191	90.0	90.0	90.0
mp-555147	box	-8.9972	-8.9972	6.8117	8.1839	5.4305	90.0	100.3	90.0
mp-546546	static	-8.9969	-8.9969	7.6493	7.6493	8.0689	90.0	90.0	120.0
mp-558374	static	-8.9961	-8.9961	10.3444	10.3444	10.3444	90.0	90.0	90.0
mp-17279	dynamic	-8.9959	-8.9959	17.9814	13.8885	7.3212	90.0	99.5	90.0
mp-556662	dynamic	-8.9956	-8.9956	6.9076	7.4054	6.7675	90.0	105.6	90.0
mp-560336	static	-8.9946	-8.9946	8.2879	18.8389	23.161	90.0	90.0	90.0
mp-1250551	box	-8.9942	-8.9942	13.6901	24.0206	18.1788	90.0	90.0	90.0
mp-644923	static	-8.9937	-8.9937	19.6409	19.6409	13.5306	90.0	90.0	90.0
mp-600006	box	-8.9924	-8.9924	8.4463	8.4463	13.9204	90.0	90.0	90.0
mp-556132	dynamic	-8.9907	-8.9907	7.641	4.2234	8.3071	90.0	90.0	90.0
mp-667376	box	-8.9902	-8.9902	8.4106	24.7688	28.8464	90.0	90.0	90.0
mp-557933	box	-8.9894	-8.9894	8.355	14.5224	20.3883	90.0	90.0	90.0
mp-558569	static	-8.9894	-8.9894	13.6247	13.6247	19.0895	90.0	90.0	120.0
mp-639733	dynamic	-8.9892	-8.9892	8.4713	9.11	15.6552	90.0	90.0	90.0
mp-639733	static	-8.9892	-8.9892	8.4718	9.1099	15.6552	90.0	90.0	90.0
mp-600065	static	-8.9888	-8.9888	18.0974	13.7242	9.6162	90.0	90.0	90.0
mp-646895	box	-8.9883	-8.9883	5.0562	33.9544	21.3269	90.0	90.9	90.0
mp-17279	static	-8.988	-8.988	18.5952	13.5326	7.5297	90.0	100.5	90.0
mp-558374	box	-8.9876	-8.9876	10.3576	10.3576	10.3576	90.0	90.0	90.0
mp-600055	static	-8.9873	-8.9873	12.2735	11.6535	21.2355	90.0	90.0	90.0
mp-1258196	static	-8.9868	-8.9868	11.0923	13.6027	13.6054	120.0	90.0	90.0
mp-667373	box	-8.9863	-8.9863	8.4711	12.4237	29.016	90.0	90.0	90.0
mp-600014	box	-8.9862	-8.9862	7.5093	12.9057	13.4976	90.0	90.0	90.0
mp-560708	box	-8.9861	-8.9861	12.4264	8.4695	15.0796	90.0	105.9	90.0
mp-600076	box	-8.9848	-8.9848	8.6049	8.6049	27.6483	90.0	90.0	90.0
mp-600031	box	-8.9836	-8.9836	8.3249	18.6646	13.4599	90.0	90.0	90.0
mp-1195265	box	-8.9836	-8.9836	13.3989	19.7622	20.1422	90.0	90.0	90.0
mp-600057	static	-8.9834	-8.9834	9.9635	12.4705	21.7745	90.0	90.0	90.0
mp-600028	static	-8.9833	-8.9833	13.5059	13.5059	13.5059	90.0	90.0	90.0
mp-558025	box	-8.9828	-8.9828	7.4368	14.1273	18.658	90.0	90.0	90.0
mp-667377	box	-8.9827	-8.9827	8.3911	24.7698	28.9325	90.0	90.0	90.0
mp-558326	static	-8.9826	-8.9826	14.8652	18.7598	14.2391	90.0	90.0	90.0
mp-1249637	dynamic	-8.9825	-8.9825	21.8714	13.5145	12.1488	90.0	108.6	90.0
mp-1249637	static	-8.9825	-8.9825	21.8873	13.5138	12.1486	90.0	108.6	90.0
mp-556994	dynamic	-8.9824	-8.9824	5.0429	5.0656	6.9204	110.9	106.2	91.6
mp-556262	box	-8.9824	-8.9824	7.3646	11.379	11.5538	104.8	94.2	96.2
mp-556994	static	-8.9824	-8.9824	5.0457	5.0693	6.9298	111.0	106.0	91.8
mp-554946	box	-8.9824	-8.9824	20.024	20.1718	13.4537	90.0	90.0	90.0
mp-600028	box	-8.9823	-8.9823	13.481	13.481	13.481	90.0	90.0	90.0
mp-1199998	static	-8.9822	-8.9822	29.0921	13.9187	12.3766	90.0	104.8	90.0
mp-557881	static	-8.9822	-8.9822	9.583	15.2482	8.79	90.0	104.8	90.0
mp-600065	box	-8.9819	-8.9819	18.1869	13.7326	9.6647	90.0	90.0	90.0
mp-639506	static	-8.9815	-8.9815	8.0138	9.0949	17.3961	90.0	90.0	90.0
mp-1249969	dynamic	-8.9811	-8.9811	9.2371	10.628	12.8049	77.6	70.9	87.3
mp-546546	box	-8.981	-8.981	7.8532	7.8532	7.9212	90.0	90.0	120.0
mp-560998	static	-8.9802	-8.9802	14.3891	19.0424	7.2135	90.0	90.0	90.0
mp-600070	dynamic	-8.98	-8.98	6.7955	14.7402	17.3675	90.0	90.0	90.0
mp-600070	static	-8.98	-8.98	6.7958	14.7388	17.3679	90.0	90.0	90.0
mp-615993	static	-8.9799	-8.9799	24.9383	5.3136	11.839	90.0	109.4	90.0
mp-1200292	box	-8.9799	-8.9799	13.4791	20.2728	24.0237	90.0	123.5	90.0
mp-557004	static	-8.9794	-8.9794	8.8216	9.0276	9.0803	113.2	97.7	98.7
mp-553945	box	-8.9791	-8.9791	13.8733	5.097	25.529	90.0	90.0	90.0
mp-600049	dynamic	-8.9777	-8.9777	7.3342	12.2572	14.5596	90.0	90.0	90.0
mp-554258	dynamic	-8.9764	-8.9764	13.0435	13.0435	9.2459	90.0	90.0	90.0
mp-600000	static	-8.9763	-8.9763	5.3275	7.6796	9.0879	90.0	90.0	90.0
mp-559550	box	-8.9762	-8.9762	12.478	12.478	7.0897	90.0	90.0	120.0
mp-1188220	dynamic	-8.9753	-8.9753	8.5153	8.5153	8.5153	90.0	90.0	90.0
mp-556132	box	-8.9752	-8.9752	7.6934	4.1585	8.1441	90.0	90.0	90.0
mp-554682	box	-8.9749	-8.9749	20.1775	20.1775	13.4908	90.0	90.0	90.0
mp-644923	box	-8.9747	-8.9747	20.1031	20.1031	13.547	90.0	90.0	90.0
mp-17279	box	-8.9747	-8.9747	18.6349	13.4963	7.6385	90.0	101.4	90.0
mp-554267	static	-8.9745	-8.9745	7.8126	7.8126	27.2817	90.0	90.0	90.0
mp-600061	static	-8.9744	-8.9744	20.0155	7.4711	9.0432	90.0	90.0	90.0
mp-600091	static	-8.9743	-8.9743	7.4987	14.241	18.8265	90.0	90.0	90.0
mp-560064	dynamic	-8.9743	-8.9743	17.3835	17.438	13.7559	90.0	110.5	90.0
mp-558326	box	-8.9741	-8.9741	14.9516	18.7167	14.201	90.0	90.0	90.0
mp-1249969	static	-8.9739	-8.9739	9.2288	11.074	13.0297	104.6	108.6	90.4
mp-557211	static	-8.9738	-8.9738	13.6285	13.6285	8.9689	90.0	90.0	120.0
mp-556662	box	-8.9735	-8.9735	6.8294	7.5368	6.7738	90.0	103.5	90.0
mp-667383	box	-8.9734	-8.9734	25.042	8.5553	16.7619	90.0	120.1	90.0
mp-555891	box	-8.9724	-8.9724	5.1543	8.3819	5.1996	90.0	119.1	90.0
mp-600054	dynamic	-8.9723	-8.9723	12.1423	12.1423	26.2916	90.0	90.0	90.0
mp-600054	static	-8.9723	-8.9723	12.1432	12.1432	26.2921	90.0	90.0	90.0
mp-600063	static	-8.9722	-8.9722	17.7567	20.6594	7.5332	90.0	90.0	90.0
mp-639506	box	-8.972	-8.972	8.1075	9.1357	17.3338	90.0	90.0	90.0
mp-1250639	static	-8.9719	-8.9719	13.802	13.8022	40.766	90.0	90.0	60.0
mp-600024	dynamic	-8.9715	-8.9715	8.3574	13.4566	15.8533	90.0	90.0	90.0
mp-600024	static	-8.9715	-8.9715	8.3561	13.4725	15.8575	90.0	90.0	90.0
mp-555521	static	-8.9715	-8.9715	10.2217	10.2217	33.774	90.0	90.0	90.0
mp-554267	box	-8.9714	-8.9714	7.7905	7.7905	27.2852	90.0	90.0	90.0
mp-558569	box	-8.9708	-8.9708	13.5815	13.5815	19.3709	90.0	90.0	120.0
mp-1199998	box	-8.9708	-8.9708	28.9935	13.9425	12.3933	90.0	105.2	90.0
mp-1268079	dynamic	-8.9705	-8.9705	12.9861	21.2111	16.5878	90.0	126.8	90.0
mp-556591	static	-8.9704	-8.9704	13.548	17.6844	18.0031	90.0	90.0	90.0
mp-1258196	box	-8.9703	-8.9703	11.2301	13.8065	13.8092	120.0	90.0	90.0
mp-555251	box	-8.9701	-8.9701	9.8171	8.5202	5.0567	90.0	90.0	90.0
mp-560336	box	-8.97	-8.97	8.4955	19.1163	23.2245	90.0	90.0	90.0
mp-600003	static	-8.9698	-8.9698	12.8177	12.8177	5.2509	90.0	90.0	90.0
mp-557894	box	-8.9696	-8.9696	7.4244	22.0566	11.5428	90.0	94.7	90.0
mp-561181	static	-8.9694	-8.9694	12.4627	21.1949	13.4413	90.0	90.0	90.0
mp-639558	static	-8.9694	-8.9694	13.4417	21.2108	12.4543	90.0	90.0	90.0
mp-532105	static	-8.969	-8.969	17.1814	17.1814	12.3039	90.0	90.0	120.0
mp-600083	static	-8.9689	-8.9689	7.5169	17.9143	26.0249	90.0	90.0	90.0
mp-600055	box	-8.9689	-8.9689	12.5173	11.6133	21.9576	90.0	90.0	90.0
mp-558947	static	-8.9681	-8.9681	19.2668	19.2668	7.26	90.0	90.0	90.0
mp-600026	static	-8.9679	-8.9679	4.9527	7.9735	14.1466	90.0	90.0	90.0
mp-560998	box	-8.9679	-8.9679	14.2952	18.7848	7.5197	90.0	90.0	90.0
mp-557211	box	-8.9675	-8.9675	13.6494	13.6494	8.9628	90.0	90.0	120.0
mp-18280	static	-8.9675	-8.9675	13.9541	13.595	7.3308	90.0	102.9	90.0
mp-560155	static	-8.9673	-8.9673	7.2335	8.7534	16.6635	90.0	114.0	90.0
mp-600091	box	-8.9672	-8.9672	7.5079	14.3046	18.9234	90.0	90.0	90.0
mp-15078	static	-8.9665	-8.9665	7.5196	14.212	18.9914	90.0	90.0	90.0
mp-1248957	box	-8.9665	-8.9665	14.0125	18.4623	7.4564	90.0	99.6	90.0
mp-555700	static	-8.9663	-8.9663	9.0633	9.0633	20.5743	90.0	90.0	90.0
mp-560941	dynamic	-8.9661	-8.9661	20.2497	9.6239	19.4427	90.0	90.0	90.0
mp-600071	static	-8.9661	-8.9661	9.1268	19.2456	14.7944	90.0	90.0	90.0
mp-560941	static	-8.966	-8.966	20.2822	9.634	19.4767	90.0	90.0	90.0
mp-600057	box	-8.9657	-8.9657	10.1662	12.5395	21.6935	90.0	90.0	90.0
mp-530546	box	-8.9654	-8.9654	17.0096	17.0096	12.7222	90.0	90.0	120.0
mp-600051	static	-8.9654	-8.9654	9.163	14.7747	19.1642	90.0	90.0	90.0
mp-1250639	box	-8.9649	-8.9649	13.832	13.8321	40.8425	90.0	90.0	120.0
mp-667368	box	-8.9648	-8.9648	8.5924	19.1038	23.2644	90.0	90.0	90.0
mp-600063	box	-8.9645	-8.9645	18.0679	20.5205	7.5161	90.0	90.0	90.0
mp-615993	box	-8.9644	-8.9644	25.4683	5.2698	12.1584	90.0	109.0	90.0
mp-1201887	static	-8.9644	-8.9644	13.7795	13.7795	8.5422	90.0	90.0	120.0
mp-558351	static	-8.9642	-8.9642	10.4932	15.0008	8.9491	90.0	105.8	90.0
mp-639733	box	-8.9638	-8.9638	8.8997	9.1809	16.0539	90.0	90.0	90.0
mp-15078	box	-8.9634	-8.9634	7.5015	14.2152	18.9558	90.0	90.0	90.0
mp-556591	box	-8.9633	-8.9633	13.5376	17.6071	17.9059	90.0	90.0	90.0
mp-1203655	static	-8.9631	-8.9631	15.2016	15.2016	11.8387	90.0	90.0	90.0
mp-1256614	static	-8.963	-8.963	18.1498	18.1498	7.553	90.0	90.0	120.0
mp-1268079	static	-8.9624	-8.9624	13.1061	21.6377	16.8414	90.0	126.9	90.0
mp-560920	box	-8.9622	-8.9622	19.1343	23.2691	8.5265	90.0	90.0	90.0
mp-562490	box	-8.9616	-8.9616	10.8675	8.4296	5.0608	90.0	113.6	90.0
mp-557004	box	-8.9613	-8.9613	8.899	9.1212	9.1625	111.7	98.2	98.9
mp-600022	dynamic	-8.9613	-8.9613	13.5466	22.1333	6.8219	90.0	90.0	90.0
mp-600022	static	-8.9613	-8.9613	13.5343	22.1572	6.8243	90.0	90.0	90.0
mp-600061	box	-8.9611	-8.9611	19.8033	7.5885	9.0668	90.0	90.0	90.0
mp-557873	dynamic	-8.9608	-8.9608	4.8199	6.8284	6.8743	107.4	108.6	107.9
mp-557134	dynamic	-8.9607	-8.9607	6.6298	8.4303	6.4833	90.0	113.3	90.0
mp-557134	static	-8.9607	-8.9607	6.6243	8.4325	6.488	90.0	113.3	90.0
mp-600003	box	-8.9606	-8.9606	13.0215	13.0215	5.2368	90.0	90.0	90.0
mp-600026	box	-8.9605	-8.9605	4.9734	8.2069	13.9633	90.0	90.0	90.0
mp-600070	box	-8.9605	-8.9605	6.9065	14.9944	17.24	90.0	90.0	90.0
mp-600083	box	-8.9604	-8.9604	7.545	18.0897	25.8553	90.0	90.0	90.0
mp-1249969	box	-8.9602	-8.9602	9.2758	11.1227	12.9877	103.5	107.7	92.3
mp-639695	static	-8.9598	-8.9598	14.1918	7.1156	9.1842	90.0	90.0	90.0
mp-560826	static	-8.9595	-8.9595	13.9715	17.7494	5.2838	90.0	90.0	90.0
mp-556553	box	-8.9589	-8.9589	6.924	8.3434	5.459	90.0	101.3	90.0
mp-600015	static	-8.9587	-8.9587	13.589	13.589	7.4245	90.0	90.0	90.0
mp-1204057	static	-8.9584	-8.9584	14.4142	14.4142	25.0219	90.0	90.0	120.0
mp-561351	box	-8.9581	-8.9581	5.2595	21.9206	11.3166	90.0	90.0	90.0
mp-558115	box	-8.9578	-8.9578	13.7925	13.7925	41.6076	90.0	90.0	120.0
mp-555521	box	-8.9576	-8.9576	10.2967	10.2967	34.5005	90.0	90.0	90.0
mp-600071	box	-8.9572	-8.9572	9.2246	19.2026	14.9249	90.0	90.0	90.0
mp-560826	box	-8.9571	-8.9571	14.007	17.7886	5.2613	90.0	90.0	90.0
mp-639558	box	-8.957	-8.957	13.4782	21.1333	12.5462	90.0	90.0	90.0
mp-639463	static	-8.9568	-8.9568	5.2891	7.2489	8.1718	90.0	90.0	90.0
mp-1249637	box	-8.9566	-8.9566	22.5658	13.4516	12.4321	90.0	110.6	90.0
mp-600111	static	-8.9564	-8.9564	5.2682	34.0193	21.4079	90.0	90.0	90.0
mp-600060	box	-8.9562	-8.9562	9.665	12.2084	22.7543	90.0	90.0	90.0
mp-559360	box	-8.9562	-8.9562	7.4045	19.4963	9.7372	90.0	98.8	90.0
mp-560064	static	-8.9561	-8.9561	17.779	17.8227	14.4583	90.0	113.9	90.0
mp-532105	box	-8.9561	-8.9561	17.1439	17.1439	12.736	90.0	90.0	120.0
mp-18280	box	-8.9558	-8.9558	14.0451	13.6458	7.4547	90.0	102.3	90.0
mp-600027	static	-8.9554	-8.9554	13.09	21.5386	5.2379	90.0	90.0	90.0
mp-600049	box	-8.9553	-8.9553	8.7098	11.452	17.276	90.0	90.0	90.0
mp-600051	box	-8.9552	-8.9552	9.1386	14.9888	19.2408	90.0	90.0	90.0
mp-554755	static	-8.955	-8.955	12.4916	12.4916	13.3708	90.0	90.0	90.0
mp-557881	box	-8.9548	-8.9548	10.4046	15.1192	8.9312	90.0	105.6	90.0
mp-556985	dynamic	-8.9547	-8.9547	4.7832	6.7295	6.9165	113.5	103.5	101.4
mp-1201887	box	-8.9546	-8.9546	13.8099	13.8099	8.5625	90.0	90.0	120.0
mp-556985	static	-8.9545	-8.9545	4.7988	6.7679	6.9032	113.1	103.6	101.8
mp-1249332	static	-8.9544	-8.9544	13.1655	13.1655	14.6405	90.0	90.0	120.0
mp-558351	box	-8.9541	-8.9541	10.4083	15.1618	8.9292	90.0	105.6	90.0
mp-555700	box	-8.954	-8.954	9.1498	9.1498	20.6449	90.0	90.0	90.0
mp-600024	box	-8.9537	-8.9537	8.4013	13.982	15.8579	90.0	90.0	90.0
mp-600018	static	-8.9534	-8.9534	8.5447	14.9075	9.7871	90.0	90.0	90.0
mp-600002	box	-8.9532	-8.9532	7.135	7.135	8.8426	90.0	90.0	90.0
mp-639695	box	-8.9532	-8.9532	14.2453	7.1263	9.0666	90.0	90.0	90.0
mp-1250261	static	-8.9525	-8.9525	13.1668	13.1668	7.4591	90.0	90.0	120.0
mp-639734	static	-8.9524	-8.9524	18.4679	18.4679	5.2639	90.0	90.0	90.0
mp-600041	static	-8.9523	-8.9523	8.7678	19.6924	10.1136	90.0	90.0	90.0
mp-558947	box	-8.9522	-8.9522	19.4132	19.4132	7.4206	90.0	90.0	90.0
mp-639463	box	-8.9518	-8.9518	5.2629	7.4364	8.1217	90.0	90.0	90.0
mp-561181	box	-8.9507	-8.9507	12.5632	21.1487	13.4861	90.0	90.0	90.0
mp-554258	static	-8.9505	-8.9505	13.9537	13.9537	9.0075	90.0	90.0	90.0
mp-600111	box	-8.9504	-8.9504	5.2594	34.1736	21.4646	90.0	90.0	90.0
mp-600067	dynamic	-8.9502	-8.9502	13.5549	13.5549	21.6437	90.0	90.0	90.0
mp-559313	static	-8.9499	-8.9499	9.1344	9.9093	8.9251	90.0	90.0	90.0
mp-556994	box	-8.9497	-8.9497	5.0872	5.1598	6.9269	73.2	74.3	85.4
mp-558564	static	-8.9492	-8.9492	12.7552	22.4638	4.8765	90.0	103.3	90.0
mp-1256499	dynamic	-8.9491	-8.9491	17.2829	17.2829	17.2829	90.0	90.0	90.0
mp-1256499	static	-8.9491	-8.9491	17.2883	17.2883	17.2883	90.0	90.0	90.0
mp-600027	box	-8.9489	-8.9489	13.0439	21.6155	5.239	90.0	90.0	90.0
mp-639734	box	-8.9488	-8.9488	18.4636	18.4636	5.2832	90.0	90.0	90.0
mp-560973	static	-8.9487	-8.9487	7.5224	18.7877	14.0713	90.0	90.0	90.0
mp-600015	box	-8.9486	-8.9486	13.608	13.608	7.6224	90.0	90.0	90.0
mp-1256614	box	-8.948	-8.948	17.9839	17.9839	7.524	90.0	90.0	120.0
mp-1268079	box	-8.9478	-8.9478	13.18	21.7553	16.8959	90.0	127.1	90.0
mp-560809	box	-8.9477	-8.9477	14.6239	20.6609	8.6118	90.0	90.0	90.0
mp-600080	static	-8.9477	-8.9477	13.0149	13.0149	25.0306	90.0	90.0	90.0
mp-1203655	box	-8.9474	-8.9474	15.2894	15.2894	11.873	90.0	90.0	90.0
mp-8352	static	-8.9467	-8.9467	7.4415	7.4415	7.4415	90.0	90.0	90.0
mp-1179447	static	-8.9467	-8.9467	7.1459	7.1459	17.5778	90.0	90.0	90.0
mp-560064	box	-8.9463	-8.9463	17.7095	17.7679	14.4117	90.0	113.8	90.0
mp-600054	box	-8.9463	-8.9463	12.591	12.591	26.1926	90.0	90.0	90.0
mp-600007	box	-8.946	-8.946	9.7297	7.5048	9.481	90.0	90.0	90.0
mp-600098	static	-8.9456	-8.9456	8.3834	14.3481	28.3621	90.0	90.0	90.0
mp-600022	box	-8.9455	-8.9455	13.507	22.172	6.934	90.0	90.0	90.0
mp-560941	box	-8.9453	-8.9453	20.5756	9.8	19.7246	90.0	90.0	90.0
mp-1249090	dynamic	-8.9451	-8.9451	13.0827	13.0827	15.5644	90.0	90.0	120.0
mp-600041	box	-8.9449	-8.9449	8.7065	20.0281	10.1518	90.0	90.0	90.0
mp-600018	box	-8.9448	-8.9448	8.5633	15.2825	9.6326	90.0	90.0	90.0
mp-560973	box	-8.9448	-8.9448	7.5027	18.8357	14.0193	90.0	90.0	90.0
mp-600067	static	-8.9447	-8.9447	13.4932	13.4932	21.9567	90.0	90.0	90.0
mp-1204057	box	-8.9444	-8.9444	14.3234	14.3234	25.1353	90.0	90.0	120.0
mp-554258	box	-8.9438	-8.9438	14.0225	14.0225	8.9955	90.0	90.0	90.0
mp-600029	static	-8.9437	-8.9437	5.2863	14.1146	17.1613	90.0	90.0	90.0
mp-1179447	box	-8.9434	-8.9434	7.1141	7.1141	17.7456	90.0	90.0	90.0
mp-639724	dynamic	-8.9434	-8.9434	8.9795	14.3177	14.0595	90.0	90.0	90.0
mp-639724	static	-8.9434	-8.9434	8.9924	14.3155	14.0525	90.0	90.0	90.0
mp-1244945	dynamic	-8.943	-8.943	10.3216	11.0558	11.1233	93.1	92.8	98.6
mp-600053	box	-8.9428	-8.9428	5.2593	22.4297	13.9337	90.0	90.0	90.0
mp-600029	box	-8.9423	-8.9423	5.2716	14.0925	17.1902	90.0	90.0	90.0
mp-639512	static	-8.9418	-8.9418	13.494	13.494	13.494	90.0	90.0	90.0
mp-32895	dynamic	-8.9412	-8.9412	24.2893	24.2893	24.2893	90.0	90.0	90.0
mp-600085	static	-8.9406	-8.9406	12.0741	12.0741	28.1385	90.0	90.0	90.0
mp-1249090	static	-8.9406	-8.9406	13.1499	13.1499	15.6984	90.0	90.0	120.0
mp-653763	box	-8.9406	-8.9406	13.879	22.6214	20.7145	90.0	90.0	90.0
mp-559313	box	-8.9401	-8.9401	9.0078	10.2797	9.0549	90.0	90.0	90.0
mp-600045	static	-8.9398	-8.9398	8.3969	19.1119	10.6086	90.0	90.0	90.0
mp-1250261	box	-8.9391	-8.9391	13.037	13.037	7.5645	90.0	90.0	120.0
mp-639511	static	-8.9391	-8.9391	13.7591	13.7591	10.1308	90.0	90.0	90.0
mp-1244945	static	-8.9389	-8.9389	10.6962	11.0603	11.3481	90.8	92.9	91.5
mp-1205213	static	-8.9388	-8.9388	14.2189	14.3099	18.9585	90.0	90.0	90.0
mp-572283	box	-8.9384	-8.9384	11.5154	11.5154	4.3399	90.0	90.0	90.0
mp-560155	box	-8.9381	-8.9381	7.3966	8.7492	17.2532	90.0	113.9	90.0
mp-1257168	static	-8.938	-8.938	12.019	12.019	29.8607	90.0	90.0	120.0
mp-558564	box	-8.9378	-8.9378	12.7677	22.3024	4.9112	90.0	103.7	90.0
mp-554755	box	-8.9375	-8.9375	12.6371	12.6371	13.248	90.0	90.0	90.0
mp-600004	static	-8.9373	-8.9373	7.5418	16.1666	5.2797	90.0	90.0	90.0
mp-557873	box	-8.9372	-8.9372	4.876	6.6822	6.8839	117.4	95.9	104.3
mp-600004	box	-8.9363	-8.9363	7.5237	16.1636	5.2756	90.0	90.0	90.0
mp-1256499	box	-8.9357	-8.9357	17.1325	17.1325	17.1325	90.0	90.0	90.0
mp-600016	static	-8.9356	-8.9356	9.24	9.24	10.6156	90.0	90.0	90.0
mp-600109	box	-8.9347	-8.9347	9.9464	9.9464	34.0378	90.0	90.0	90.0
mp-32895	static	-8.9343	-8.9343	24.404	24.404	24.404	90.0	90.0	90.0
mp-600045	box	-8.934	-8.934	8.8969	19.3265	10.4249	90.0	90.0	90.0
mp-600001	static	-8.934	-8.934	6.9309	6.9309	6.4014	90.0	90.0	90.0
mp-1249332	box	-8.9336	-8.9336	13.0102	13.0102	15.1462	90.0	90.0	120.0
mp-560527	box	-8.9322	-8.9322	9.5382	10.4166	9.0151	90.0	90.0	90.0
mp-600067	box	-8.932	-8.932	13.3961	13.3961	21.8414	90.0	90.0	90.0
mp-1179454	static	-8.9319	-8.9319	8.9489	8.9489	5.2768	90.0	90.0	90.0
mp-1179454	box	-8.9318	-8.9318	8.9551	8.9551	5.2695	90.0	90.0	90.0
mp-639511	box	-8.9316	-8.9316	13.9758	13.9758	9.8968	90.0	90.0	90.0
mp-600037	box	-8.9315	-8.9315	5.2793	13.9696	25.9767	90.0	90.0	90.0
mp-600080	box	-8.9314	-8.9314	12.9326	12.9326	25.4544	90.0	90.0	90.0
mp-555211	static	-8.9308	-8.9308	14.1268	14.1268	10.3442	90.0	90.0	90.0
mp-554543	static	-8.9308	-8.9308	10.1514	10.1514	8.5564	90.0	90.0	90.0
mp-600072	dynamic	-8.9305	-8.9305	18.4566	18.4566	9.2589	90.0	90.0	90.0
mp-600072	static	-8.9305	-8.9305	18.4574	18.4574	9.2648	90.0	90.0	90.0
mp-639724	box	-8.9305	-8.9305	9.8017	14.0568	13.9982	90.0	90.0	90.0
mp-556985	box	-8.93	-8.93	4.9102	7.0095	7.0561	115.0	102.4	103.1
mp-7087	static	-8.9298	-8.9298	5.2761	5.2761	8.4857	90.0	90.0	120.0
mp-600032	dynamic	-8.9297	-8.9297	13.5913	12.7347	18.1598	90.0	90.0	90.0
mp-600032	static	-8.9297	-8.9297	13.5835	12.7453	18.176	90.0	90.0	90.0
mp-7087	box	-8.9291	-8.9291	5.2636	5.2636	8.5306	90.0	90.0	120.0
mp-600000	box	-8.9289	-8.9289	5.2199	9.4903	8.9934	90.0	90.0	90.0
mp-554543	box	-8.9286	-8.9286	10.1259	10.1259	8.5672	90.0	90.0	90.0
mp-600016	box	-8.9281	-8.9281	9.7516	9.7516	10.1631	90.0	90.0	90.0
mp-17909	dynamic	-8.9278	-8.9278	13.4953	13.4953	15.1293	90.0	90.0	120.0
mp-639478	static	-8.9276	-8.9276	11.7813	11.7813	11.7813	90.0	90.0	90.0
mp-639512	box	-8.9276	-8.9276	13.6782	13.6782	13.6782	90.0	90.0	90.0
mp-600001	box	-8.9273	-8.9273	6.8954	6.8954	6.3861	90.0	90.0	90.0
mp-1205213	box	-8.9272	-8.9272	14.2327	14.3312	18.9477	90.0	90.0	90.0
mp-600098	box	-8.927	-8.927	9.8352	14.0515	28.0615	90.0	90.0	90.0
mp-600085	box	-8.9255	-8.9255	12.1192	12.1192	28.5405	90.0	90.0	90.0
mp-555211	box	-8.9252	-8.9252	14.1515	14.1515	10.2883	90.0	90.0	90.0
mp-1249090	box	-8.9248	-8.9248	13.0545	13.0545	15.6872	90.0	90.0	120.0
mp-17909	static	-8.9248	-8.9248	13.6427	13.6427	14.8902	90.0	90.0	120.0
mp-554243	static	-8.9247	-8.9247	7.3148	7.3148	7.0018	90.0	90.0	120.0
mp-556319	dynamic	-8.9246	-8.9246	4.9585	5.3063	6.1035	98.0	93.8	92.1
mp-554243	box	-8.9246	-8.9246	7.3097	7.3097	7.0172	90.0	90.0	120.0
mp-600038	static	-8.9236	-8.9236	13.8835	6.9343	6.4105	90.0	90.0	90.0
mp-32895	box	-8.923	-8.923	24.2781	24.2781	24.2781	90.0	90.0	90.0
mp-1257168	box	-8.9225	-8.9225	11.9569	11.9569	29.6467	90.0	90.0	120.0
mp-600032	box	-8.9217	-8.9217	13.6414	12.5698	18.4104	90.0	90.0	90.0
mp-556963	dynamic	-8.9211	-8.9211	11.6475	11.6475	4.3881	90.0	90.0	120.0
mp-556963	static	-8.9211	-8.9211	11.6476	11.6476	4.3886	90.0	90.0	120.0
mp-557134	box	-8.9209	-8.9209	6.7197	8.187	6.8383	90.0	116.3	90.0
mp-17909	box	-8.9198	-8.9198	13.591	13.591	14.8002	90.0	90.0	120.0
mp-600072	box	-8.9196	-8.9196	18.3949	18.3949	9.2922	90.0	90.0	90.0
mp-557244	dynamic	-8.918	-8.918	4.2045	4.2982	15.4967	90.0	90.0	90.0
mp-557244	static	-8.918	-8.918	4.2045	4.2984	15.4967	90.0	90.0	90.0
mp-639741	static	-8.9177	-8.9177	14.9631	14.9631	14.9631	90.0	90.0	90.0
mp-557591	static	-8.9165	-8.9165	10.7305	10.7305	10.7305	90.0	90.0	90.0
mp-600039	static	-8.9164	-8.9164	16.0828	9.3463	8.5597	90.0	90.0	90.0
mp-600038	box	-8.9159	-8.9159	13.7956	6.897	6.3892	90.0	90.0	90.0
mp-8602	static	-8.9147	-8.9147	14.2457	14.2457	11.1757	90.0	90.0	120.0
mp-639480	static	-8.9144	-8.9144	7.1195	7.1195	21.1113	90.0	90.0	90.0
mp-560131	dynamic	-8.9144	-8.9144	12.7519	12.7519	4.7665	90.0	90.0	90.0
mp-560131	static	-8.9144	-8.9144	12.7521	12.7521	4.7669	90.0	90.0	90.0
mp-1188220	box	-8.9136	-8.9136	8.9349	8.9349	8.9349	90.0	90.0	90.0
mp-557244	box	-8.9133	-8.9133	4.2064	4.3906	15.4343	90.0	90.0	90.0
mp-600078	static	-8.9127	-8.9127	7.1633	7.1633	41.8753	90.0	90.0	90.0
mp-639741	box	-8.9124	-8.9124	14.8907	14.8907	14.8907	90.0	90.0	90.0
mp-639478	box	-8.9123	-8.9123	11.8807	11.8807	11.8807	90.0	90.0	90.0
mp-639705	static	-8.9107	-8.9107	13.8795	13.8795	6.4384	90.0	90.0	90.0
mp-600039	box	-8.9098	-8.9098	15.928	9.4671	8.5724	90.0	90.0	90.0
mp-600005	static	-8.9096	-8.9096	9.9152	9.9152	9.9152	90.0	90.0	90.0
mp-639480	box	-8.9082	-8.9082	7.1593	7.1593	20.7762	90.0	90.0	90.0
mp-600078	box	-8.9077	-8.9077	7.128	7.128	41.7779	90.0	90.0	90.0
mp-8602	box	-8.907	-8.907	14.2016	14.2016	11.4098	90.0	90.0	120.0
mp-680222	dynamic	-8.9061	-8.9061	23.2899	23.2899	9.0897	90.0	90.0	120.0
mp-556963	box	-8.9056	-8.9056	11.5285	11.5285	4.4068	90.0	90.0	120.0
mp-560152	box	-8.9055	-8.9055	11.3541	11.3541	5.0536	90.0	90.0	90.0
mp-680222	static	-8.9048	-8.9048	22.86	22.86	9.7722	90.0	90.0	120.0
mp-600033	static	-8.9048	-8.9048	8.9661	8.9661	8.9661	90.0	90.0	90.0
mp-600033	box	-8.9048	-8.9048	8.967	8.967	8.967	90.0	90.0	90.0
mp-673168	dynamic	-8.9047	-8.9047	9.2824	2.9706	7.0696	90.0	104.5	90.0
mp-600005	box	-8.9044	-8.9044	9.8769	9.8769	9.8769	90.0	90.0	90.0
mp-557591	box	-8.9035	-8.9035	10.6233	10.6233	10.6233	90.0	90.0	90.0
mp-639705	box	-8.9028	-8.9028	13.7922	13.7922	6.41	90.0	90.0	90.0
mp-600068	static	-8.9005	-8.9005	10.5445	11.2972	9.6276	90.0	90.0	90.0
mp-600023	static	-8.8987	-8.8987	13.6162	13.6162	13.6162	90.0	90.0	90.0
mp-557024	dynamic	-8.8984	-8.8984	14.267	14.267	14.267	90.0	90.0	90.0
mp-557024	static	-8.8984	-8.8984	14.2673	14.2673	14.2673	90.0	90.0	90.0
mp-1245026	dynamic	-8.8969	-8.8969	11.1648	11.3831	11.9543	97.1	91.2	95.4
mp-553993	dynamic	-8.8957	-8.8957	9.5094	9.5094	21.4978	90.0	90.0	90.0
mp-553993	static	-8.8956	-8.8956	9.5739	9.5739	21.429	90.0	90.0	90.0
mp-556319	box	-8.8954	-8.8954	4.9969	5.3918	6.1427	90.7	90.2	90.5
mp-639748	dynamic	-8.8948	-8.8948	14.3523	8.569	19.1171	90.0	90.0	90.0
mp-639748	static	-8.8948	-8.8948	14.3498	8.5681	19.1172	90.0	90.0	90.0
mp-600023	box	-8.8942	-8.8942	13.5745	13.5745	13.5745	90.0	90.0	90.0
mp-1244965	dynamic	-8.8941	-8.8941	10.2819	11.7295	12.2652	91.8	90.1	91.0
mp-1244965	static	-8.8941	-8.8941	10.2847	11.7289	12.2674	91.8	90.1	91.0
mp-600050	dynamic	-8.8917	-8.8917	20.8693	7.1232	8.739	90.0	90.0	90.0
mp-600050	static	-8.8917	-8.8917	20.8667	7.1233	8.748	90.0	90.0	90.0
mp-680222	box	-8.8916	-8.8916	22.6995	22.6995	9.7071	90.0	90.0	120.0
mp-561090	static	-8.8902	-8.8902	19.9316	19.9316	19.9316	90.0	90.0	90.0
mp-561090	box	-8.8899	-8.8899	19.927	19.927	19.927	90.0	90.0	90.0
mp-639682	static	-8.8864	-8.8864	7.1908	7.1908	12.076	90.0	90.0	90.0
mp-600068	box	-8.8854	-8.8854	10.2754	11.8653	10.0064	90.0	90.0	90.0
mp-555791	dynamic	-8.8844	-8.8844	20.4612	20.4612	20.4612	90.0	90.0	90.0
mp-639682	box	-8.8833	-8.8833	7.1721	7.1721	12.0274	90.0	90.0	90.0
mp-639748	box	-8.8808	-8.8808	14.6424	8.6058	18.8459	90.0	90.0	90.0
mp-559928	static	-8.8785	-8.8785	9.1051	9.1051	5.3083	90.0	90.0	120.0
mp-553993	box	-8.8773	-8.8773	9.8623	9.8623	20.8468	90.0	90.0	90.0
mp-557024	box	-8.8743	-8.8743	14.2026	14.2026	14.2026	90.0	90.0	90.0
mp-559928	box	-8.8729	-8.8729	9.0789	9.0789	5.2875	90.0	90.0	120.0
mp-559962	static	-8.871	-8.871	19.1068	19.1068	19.1068	90.0	90.0	90.0
mp-1244968	dynamic	-8.868	-8.868	11.2856	11.3323	11.4572	92.0	91.3	94.8
mp-555791	box	-8.8673	-8.8673	20.2766	20.2766	20.2766	90.0	90.0	90.0
mp-559962	box	-8.8645	-8.8645	19.0417	19.0417	19.0417	90.0	90.0	90.0
mp-1021503	dynamic	-8.8627	-8.8627	3.803	3.803	3.803	90.0	90.0	90.0

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
mp-1194828	static	-8.3319	-8.3319	24.7281	13.9544	12.4356	90.0	109.6	90.0
mp-1194828	box	-8.2682	-8.2682	24.4274	13.9008	12.3389	90.0	109.7	90.0

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
D0_3--BiF3	static	-1.8699	-1.8699	7.0212	7.0212	7.0212	90.0	90.0	90.0
A15--Cr3Si	static	-1.8616	-1.8616	5.6403	5.6403	5.6403	90.0	90.0	90.0
L1_2--AuCu3	static	-1.7292	-1.7292	4.2958	4.2958	4.2958	90.0	90.0	90.0

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
mp-1179195	dynamic	-8.7049	-8.7049	24.4558	13.644	18.3759	90.0	130.0	90.0
mp-1179195	static	-8.5768	-8.5768	20.111	9.1069	14.5917	90.0	132.5	90.0
mp-1179195	box	-8.3409	-8.3409	19.4684	8.7681	13.8967	90.0	130.4	90.0

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
mp-685105	dynamic	-4.9449	-4.9449	9.8155	14.8841	68.7924	91.8	93.5	107.2
mp-685105	static	-3.3821	-3.3821	7.8719	19.3835	22.996	76.7	89.3	82.5
mp-685105	box	-0.8076	-0.8076	8.8526	9.1369	21.2928	84.4	79.3	74.5

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
mp-862998	static	-7.5655	-7.5655	23.9198	7.4356	5.0059	90.0	90.0	90.0
mp-862998	box	-5.7267	-5.7267	18.1462	5.5283	5.2001	90.0	90.0	90.0

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
mp-638900	dynamic	-8.0329	-8.0329	6.9712	7.4306	16.4639	85.4	77.9	72.2
mp-638900	static	-7.6915	-7.6915	7.9124	7.9424	9.4484	112.2	90.5	97.1
mp-638900	box	-7.3334	-7.3334	8.8854	8.9154	8.9884	110.3	99.9	97.4

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
mp-1219421	dynamic	-7.0453	-7.0453	5.2204	28.9369	37.2309	90.0	90.0	90.0
mp-1219421	static	-6.9212	-6.9212	5.254	10.9326	21.1006	90.0	90.0	90.0
mp-1219421	box	-5.0514	-5.0514	5.0608	11.3195	16.5585	90.0	90.0	90.0

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
mp-1179651	dynamic	-8.8947	-8.8947	6.9695	6.9897	16.0434	90.1	98.9	117.9
mp-1179651	static	-8.8476	-8.8476	6.8763	6.8786	13.2876	77.7	78.1	62.9
mp-1179651	box	-8.0059	-8.0059	6.623	6.6315	11.9122	76.6	76.1	68.3

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
mp-1179275	static	-8.197	-8.197	7.8467	7.8467	28.8207	90.0	90.0	90.0
mp-1179275	box	-8.0288	-8.0288	7.6469	7.6469	28.7392	90.0	90.0	90.0

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
B3--ZnS--cubic-zinc-blende	static	-2.1166	-2.1166	6.922	6.922	6.922	90.0	90.0	90.0
B3--ZnS--cubic-zinc-blende	static	-2.1049	-2.1049	6.2361	6.2361	6.2361	90.0	90.0	90.0
B1--NaCl--rock-salt	static	-1.6586	-1.6586	7.0501	7.0501	7.0501	90.0	90.0	90.0
B1--NaCl--rock-salt	box	-1.3483	-1.3483	9.1902	9.1902	9.1902	90.0	90.0	90.0
B2--CsCl	static	-1.1564	-1.1564	6.305	6.305	6.305	90.0	90.0	90.0
B2--CsCl	box	-1.1336	-1.1336	4.3041	4.3041	4.3041	90.0	90.0	90.0
B2--CsCl	static	-1.125	-1.125	4.7912	4.7912	4.7912	90.0	90.0	90.0

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
mp-1063118	static	-3.6184	-3.6184	19.0148	19.0823	12.8679	90.0	117.9	90.0
mp-1208867	box	-0.8166	-0.8166	15.526	15.526	15.526	90.0	90.0	90.0

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
mp-32881	dynamic	-3.9068	-3.9068	66.2752	14.2148	30.3254	90.0	104.6	90.0
mp-32566	dynamic	-3.9068	-3.9068	68.6001	13.4503	29.6246	90.0	100.6	90.0

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
oqmd-1214837	dynamic	-0.0	-0.0	36.1494	36.1494	36.1494	90.0	90.0	90.0
oqmd-1214926	dynamic	-0.0	-0.0	25.4712	25.4712	25.4712	90.0	90.0	90.0
oqmd-22408	dynamic	-0.0	-0.0	52.5499	14.2218	20.2379	90.0	97.9	90.0
mp-34	dynamic	-0.0	-0.0	10.0	10.0	10.0	90.0	90.0	120.0
A3--Mg--hcp	dynamic	-0.0	-0.0	10.0	10.0	16.3417	90.0	90.0	120.0
A6--In--bct	dynamic	-0.0	-0.0	12.1058	12.1058	10.3393	90.0	90.0	90.0
A3--Mg--hcp	dynamic	-0.0	-0.0	10.0	10.0	16.344	90.0	90.0	120.0
oqmd-5764	dynamic	-0.0	-0.0	13.6327	13.6327	32.3357	90.0	90.0	120.0
oqmd-691764	dynamic	-0.0	-0.0	10.0041	10.0041	25.9772	90.0	90.0	120.0
A1--Cu--fcc	dynamic	-0.0	-0.0	14.1421	14.1421	14.1421	90.0	90.0	90.0
A2--W--bcc	dynamic	-0.0	-0.0	11.547	11.547	11.547	90.0	90.0	90.0
mp-1072544	dynamic	-0.0	-0.0	28.2843	28.2843	28.2843	90.0	90.0	90.0
mp-168	dynamic	-0.0	-0.0	28.0319	28.0319	28.0319	90.0	90.0	90.0
A6--In--bct	dynamic	-0.0	-0.0	12.1344	12.1344	10.2718	90.0	90.0	90.0
A5--beta-Sn	dynamic	-0.0	-0.0	19.3639	19.3639	10.0078	90.0	90.0	90.0
mp-999200	dynamic	-0.0	-0.0	27.2898	27.2898	17.2119	90.0	90.0	90.0
mp-109	dynamic	-0.0	-0.0	19.9206	21.8362	36.1706	90.0	90.0	90.0
A3'--alpha-La--double-hcp	dynamic	-0.0	-0.0	10.0043	10.0043	32.6529	90.0	90.0	120.0
oqmd-22507	dynamic	-0.0	-0.0	13.8771	23.0803	32.3747	90.0	90.0	90.0
mp-1244933	dynamic	-0.0	-0.0	51.9419	52.1226	52.7376	73.3	78.9	77.6
mp-1244971	dynamic	-0.0	-0.0	50.3389	53.7964	56.139	97.7	97.9	99.7
A4--C--dc	dynamic	-0.0	-0.0	23.094	23.094	23.094	90.0	90.0	90.0
mp-644693	dynamic	0.0	0.0	17.2329	22.9911	37.2954	105.5	92.0	109.7
mp-971661	dynamic	0.0	0.0	43.5732	43.5732	43.5732	90.0	90.0	90.0
A15--beta-W	dynamic	0.0	0.0	20.0	20.0	20.0	90.0	90.0	90.0
A6--In--bct	dynamic	0.0	0.0	10.0	10.0	14.4617	90.0	90.0	90.0
mp-571520	dynamic	0.0	0.0	40.0225	40.0225	23.6291	90.0	90.0	120.0
mp-16220	dynamic	0.0	0.0	63.8371	63.8371	63.8371	90.0	90.0	90.0
A5--beta-Sn	dynamic	0.0	0.0	19.364	19.364	10.0068	90.0	90.0	90.0
mp-1201492	dynamic	0.0	0.0	75.0813	75.0813	75.0813	90.0	90.0	90.0
A3--Mg--hcp	dynamic	0.0	0.0	10.0	10.0	16.3407	90.0	90.0	120.0
mp-1204627	dynamic	0.0	0.0	70.8382	54.5558	42.5448	90.0	90.0	90.0
mp-676011	dynamic	0.0	0.0	19.947	22.6389	28.754	73.4	71.4	65.5
mp-1244990	dynamic	0.0	0.0	51.0119	51.2215	52.528	104.7	101.5	99.4
oqmd-1214659	dynamic	0.0	0.0	14.0046	14.0046	17.6527	90.0	90.0	120.0
mp-1204046	dynamic	0.0	0.0	42.9055	42.9055	102.418	90.0	90.0	90.0
mp-1202745	dynamic	0.0	0.0	42.9176	42.9176	68.0002	90.0	90.0	120.0
mp-1001113	dynamic	0.0	0.0	11.9089	37.3243	15.9858	90.0	90.0	90.0
mp-1199894	dynamic	0.0	0.0	109.027	64.1672	42.3939	90.0	94.1	90.0
mp-1094057	dynamic	0.0	0.0	10.0023	10.0023	73.5473	90.0	90.0	120.0
mp-165	dynamic	0.0	0.0	16.2181	16.2181	27.0325	90.0	90.0	120.0
mp-1245041	dynamic	0.0	0.0	53.9776	54.3957	54.7443	71.9	73.9	76.1
mp-1200830	dynamic	0.0	0.0	53.2273	53.2273	53.2273	90.0	90.0	90.0
mp-1079649	dynamic	0.0	0.0	32.5252	19.9788	20.7033	90.0	90.0	90.0
mp-1079297	dynamic	0.0	0.0	57.3231	16.4477	28.0207	90.0	95.8	90.0
mp-971662	dynamic	0.0	0.0	43.4458	43.4458	43.4458	90.0	90.0	90.0
mp-1245242	dynamic	0.0	0.0	52.2438	53.2846	53.5217	79.9	81.3	82.9
mp-1120447	dynamic	0.0	0.0	20.5802	23.4907	29.4484	106.0	109.9	96.6
mp-1095269	dynamic	0.0	0.0	16.0745	47.3332	53.4502	90.0	90.0	90.0
mp-1120747	dynamic	0.0	0.0	20.5847	20.5847	16.132	90.0	90.0	120.0
mp-1268191	dynamic	0.0	0.0	27.481	27.481	10.0	90.0	90.0	120.0
mp-1203790	dynamic	0.0	0.0	44.2605	44.2605	72.538	90.0	90.0	120.0
mp-1245041	static	0.0	0.0	57.4769	57.7952	58.6076	80.4	76.4	79.6
mp-971662	static	0.0	0.0	43.5194	43.5194	43.5194	90.0	90.0	90.0
oqmd-78174	static	0.0	0.0	32.737	20.8724	21.6359	90.0	90.0	90.0
mp-1244971	static	0.0	0.0	51.6639	55.8403	59.5896	95.2	94.5	95.4
mp-1244933	static	0.0	0.0	55.3319	55.5177	56.497	79.5	78.2	81.3
mp-1244990	static	0.0	0.0	53.6008	53.7976	55.625	96.7	100.1	94.8
mp-1204046	static	0.0	0.0	43.6511	43.6511	105.9323	90.0	90.0	90.0
mp-1245242	static	0.0	0.0	54.3471	55.5921	55.8266	82.9	83.4	84.5
A6--In--bct	static	0.0	0.0	9.9999	9.9999	14.4671	90.0	90.0	90.0
mp-1199894	static	0.0	0.0	108.9775	65.0206	42.3186	90.0	95.0	90.0
mp-644693	static	0.0	0.0	18.8028	23.6469	36.0272	84.8	89.4	80.7
mp-109	static	0.0	0.0	19.9011	21.9875	36.6179	90.0	90.0	90.0
mp-1120447	static	0.0	0.0	22.808	23.3518	29.1321	80.0	83.6	85.2
mp-676011	static	0.0	0.0	22.4448	24.5852	29.1133	90.2	98.4	104.7
mp-1201492	static	0.0	0.0	76.2145	76.2145	76.2145	90.0	90.0	90.0
oqmd-717361	static	0.0	0.0	32.0601	32.0601	32.0601	90.0	90.0	90.0
mp-1001113	static	0.0	0.0	12.0664	36.9154	15.8759	90.0	90.0	90.0
mp-1079649	static	0.0	0.0	32.7493	20.7647	21.9098	90.0	90.0	90.0
oqmd-1214748	static	0.0	0.0	18.9898	31.0332	15.4027	90.0	90.0	90.0
A4--C--dc	static	0.0	0.0	23.0936	23.0936	23.0936	90.0	90.0	90.0
mp-1204627	static	0.0	0.0	72.0133	55.4265	43.0767	90.0	90.0	90.0
mp-999200	static	0.0	0.0	27.9634	27.9634	16.527	90.0	90.0	90.0
A15--beta-W	static	0.0	0.0	19.9994	19.9994	19.9994	90.0	90.0	90.0
A2--W--bcc	static	0.0	0.0	11.5468	11.5468	11.5468	90.0	90.0	90.0
oqmd-1214659	static	0.0	0.0	14.1073	14.1073	17.4048	90.0	90.0	120.0
oqmd-717360	static	0.0	0.0	43.5058	43.5058	43.5058	90.0	90.0	90.0
A1--Cu--fcc	static	0.0	0.0	14.142	14.142	14.142	90.0	90.0	90.0
oqmd-10215	static	0.0	0.0	63.6422	63.6422	63.6422	90.0	90.0	90.0
mp-1120747	static	0.0	0.0	20.0409	20.0409	16.3598	90.0	90.0	120.0
oqmd-22507	static	0.0	0.0	16.3512	28.1954	26.7153	90.0	90.0	90.0
A5--beta-Sn	static	0.0	0.0	19.363	19.363	10.0093	90.0	90.0	90.0
oqmd-1214926	static	0.0	0.0	26.9275	26.9275	26.9275	90.0	90.0	90.0
A5--beta-Sn	static	0.0	0.0	19.3627	19.3627	10.0117	90.0	90.0	90.0
oqmd-22407	static	0.0	0.0	27.9867	27.9867	16.5037	90.0	90.0	90.0
A3--Mg--hcp	static	0.0	0.0	9.9997	9.9997	16.3516	90.0	90.0	120.0
A15--beta-W	static	0.0	0.0	19.9987	19.9987	19.9987	90.0	90.0	90.0
A2--W--bcc	static	0.0	0.0	11.5467	11.5467	11.5467	90.0	90.0	90.0
mp-168	static	0.0	0.0	28.4223	28.4223	28.4223	90.0	90.0	90.0
oqmd-7479	static	0.0	0.0	19.0767	19.5934	10.0107	90.0	90.0	90.0
A6--In--bct	static	0.0	0.0	12.1621	12.1621	10.2044	90.0	90.0	90.0
A1--Cu--fcc	static	0.0	0.0	14.1416	14.1416	14.1416	90.0	90.0	90.0
A4--C--dc	static	0.0	0.0	23.0922	23.0922	23.0922	90.0	90.0	90.0
mp-1072544	static	0.0	0.0	28.282	28.282	28.282	90.0	90.0	90.0
A4--C--dc	static	0.0	0.0	23.092	23.092	23.092	90.0	90.0	90.0
A5--beta-Sn	static	0.0	0.0	19.3618	19.3618	10.0094	90.0	90.0	90.0

Elastic Constants Predictions

Static elastic constants are displayed for the unique structures identified in Crystal Structure Predictions above. The values displayed here are obtained by measuring the change in virial stresses due to applying small strains to the relaxed crystals. The initial structure and the strained states are all relaxed using force minimization.

The calculation method used is available as the iprPy elastic_constants_static calculation method.

Notes and Disclaimers:

These values are meant to be guidelines for comparing potentials, not the absolute values for any potential's properties. Values listed here may change if the calculation methods are updated due to improvements/corrections. Variations in the values may occur for variations in calculation methods, simulation software and implementations of the interatomic potentials.
The presence of any structures in this list does not guarantee that those structures are stable.
The elastic constants have been computed for a variety of strains, and in some cases for slightly different lattice constant values. The static nature of this calculation can give poor predictions if the evaluated states straddle a functional discontinuity in the potential's third derivative. Be sure to compare the elastic constants for the different strains (positive and negative).
NIST disclaimer

Version Information:

2019-08-07. Data added.

Composition:

Prototype:

a₀:

strain:

Download raw data

Cij in GPa:

0.416	0.208	0.208	-0.000	0.000	-0.000
0.208	0.416	0.208	-0.000	-0.000	-0.000
0.208	0.208	0.416	0.000	-0.000	-0.000
0.000	0.104	0.104	0.104	-0.000	-0.000
0.104	0.000	0.104	-0.000	0.104	0.000
0.104	0.104	0.000	0.000	0.000	0.104

-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.104	-0.104	0.104	0.000	-0.000
-0.104	-0.000	-0.104	-0.000	0.104	-0.000
-0.104	-0.104	-0.000	-0.000	-0.000	0.104

-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.104	-0.104	0.104	-0.000	-0.000
-0.104	-0.000	-0.104	0.000	0.104	-0.000
-0.104	-0.104	-0.000	-0.000	-0.000	0.104

-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.104	-0.104	0.104	-0.000	-0.000
-0.104	-0.000	-0.104	-0.000	0.104	-0.000
-0.104	-0.104	-0.000	-0.000	-0.000	0.104

0.074	0.000	0.000	0.000	-0.000	-0.000
0.000	0.074	0.000	0.000	-0.000	-0.000
0.000	0.000	0.074	-0.000	0.000	-0.000
0.000	-0.000	0.000	-0.000	0.000	-0.000
-0.000	0.000	0.000	0.000	-0.000	-0.000
-0.000	-0.000	0.000	0.000	-0.000	-0.000

0.074	0.000	0.000	0.000	-0.000	-0.000
0.000	0.074	0.000	0.000	-0.000	0.000
0.000	0.000	0.074	0.000	-0.000	0.000
-0.000	0.000	-0.000	-0.000	-0.000	0.000
0.000	-0.000	-0.000	-0.000	-0.000	0.000
0.000	0.000	-0.000	-0.000	-0.000	-0.000

0.074	0.000	0.000	0.000	0.000	0.000
0.000	0.074	0.000	-0.000	-0.000	0.000
0.000	0.000	0.074	0.000	0.000	0.000
0.000	-0.000	-0.000	-0.000	0.000	-0.000
-0.000	0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	0.000	0.000	-0.000	-0.000

0.074	0.000	0.000	0.000	-0.000	0.000
0.000	0.074	0.000	-0.000	-0.000	-0.000
0.000	0.000	0.074	0.000	0.000	0.000
-0.000	0.000	0.000	-0.000	-0.000	-0.000
0.000	-0.000	0.000	0.000	-0.000	0.000
0.000	0.000	-0.000	-0.000	0.000	-0.000

0.074	0.000	0.000	0.000	-0.000	-0.000
0.000	0.074	0.000	0.000	-0.000	-0.000
0.000	0.000	0.074	-0.000	0.000	0.000
0.000	0.000	-0.000	-0.000	-0.000	-0.000
0.000	0.000	-0.000	-0.000	-0.000	-0.000
0.000	-0.000	0.000	0.000	0.000	-0.000

0.074	0.000	0.000	0.000	-0.000	0.000
0.000	0.074	0.000	-0.000	-0.000	-0.000
0.000	0.000	0.074	-0.000	-0.000	0.000
-0.000	-0.000	0.000	-0.000	0.000	-0.000
-0.000	-0.000	0.000	0.000	-0.000	-0.000
-0.000	0.000	-0.000	-0.000	-0.000	-0.000

0.170	0.170	0.170	0.000	0.000	0.000
0.170	0.170	0.170	0.000	0.000	0.000
0.170	0.170	0.170	0.000	0.000	0.000
0.085	0.085	0.085	0.085	0.000	0.000
0.085	0.085	0.085	0.000	0.085	0.000
0.085	0.085	0.085	-0.000	-0.000	0.085

-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.085	-0.085	-0.085	0.085	-0.000	0.000
-0.085	-0.085	-0.085	-0.000	0.085	0.000
-0.085	-0.085	-0.085	-0.000	0.000	0.085

0.170	0.170	0.170	0.000	0.000	-0.000
0.170	0.170	0.170	0.000	0.000	-0.000
0.170	0.170	0.170	0.000	0.000	0.000
0.085	0.085	0.085	0.085	0.000	0.000
0.085	0.085	0.085	0.000	0.085	0.000
0.085	0.085	0.085	0.000	0.000	0.085

-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.085	-0.085	-0.085	0.085	0.000	-0.000
-0.085	-0.085	-0.085	0.000	0.085	-0.000
-0.085	-0.085	-0.085	0.000	-0.000	0.085

0.170	0.170	0.170	-0.000	-0.000	-0.000
0.170	0.170	0.170	-0.000	-0.000	-0.000
0.170	0.170	0.170	-0.000	-0.000	0.000
0.085	0.085	0.085	0.085	-0.000	-0.000
0.085	0.085	0.085	-0.000	0.085	-0.000
0.085	0.085	0.085	-0.000	-0.000	0.085

-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.085	-0.085	-0.085	0.085	0.000	-0.000
-0.085	-0.085	-0.085	0.000	0.085	-0.000
-0.085	-0.085	-0.085	-0.000	0.000	0.085

0.078	0.026	0.126	-0.000	0.000	0.000
0.026	0.078	0.126	-0.000	0.000	-0.000
0.126	0.126	0.304	-0.000	-0.000	-0.000
0.000	-0.000	0.000	0.126	0.000	-0.000
-0.000	-0.000	0.000	0.000	0.126	0.000
0.000	-0.000	0.000	0.000	0.000	0.026

0.077	0.027	0.126	-0.000	-0.000	-0.000
0.027	0.077	0.126	-0.000	0.000	0.000
0.126	0.126	0.304	0.000	0.000	0.000
0.000	0.000	-0.000	0.126	0.000	0.000
0.000	0.000	-0.000	0.000	0.126	0.000
-0.000	0.000	-0.000	-0.000	0.000	0.026

0.078	0.026	0.126	-0.000	0.000	0.000
0.026	0.078	0.126	-0.000	0.000	-0.000
0.126	0.126	0.304	-0.000	0.000	-0.000
-0.000	-0.000	0.000	0.126	-0.000	-0.000
-0.000	-0.000	0.000	-0.000	0.126	-0.000
-0.000	-0.000	-0.000	-0.000	0.000	0.025

0.078	0.026	0.126	-0.000	-0.000	-0.000
0.026	0.078	0.126	0.000	-0.000	0.000
0.126	0.126	0.304	-0.000	-0.000	0.000
0.000	0.000	-0.000	0.126	-0.000	0.000
0.000	0.000	-0.000	-0.000	0.126	-0.000
0.000	0.000	0.000	-0.000	0.000	0.025

0.061	0.043	0.126	-0.000	0.000	0.000
0.042	0.062	0.126	0.000	0.000	-0.000
0.126	0.126	0.304	0.000	0.000	-0.000
-0.000	-0.000	0.000	0.126	-0.000	-0.000
-0.000	-0.000	0.000	0.000	0.126	-0.000
-0.000	-0.000	-0.000	-0.000	0.000	0.008

0.060	0.044	0.126	-0.000	-0.000	0.000
0.044	0.060	0.126	-0.000	0.000	0.000
0.126	0.126	0.304	0.000	0.000	0.000
0.000	0.000	-0.000	0.126	-0.000	0.000
0.000	0.000	-0.000	-0.000	0.126	-0.000
0.000	0.000	0.000	0.000	0.000	0.008

0.372	0.000	0.000	0.000	0.000	0.000
0.000	0.372	0.000	0.000	0.000	0.000
0.000	0.000	0.000	0.000	0.000	0.000
0.000	0.000	0.000	0.000	0.000	0.000
0.000	0.000	0.000	0.000	0.000	0.000
0.000	0.000	0.000	0.000	0.000	0.000

-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000

0.372	0.000	0.000	0.000	0.000	0.000
0.000	0.372	0.000	0.000	0.000	0.000
0.000	0.000	0.000	0.000	0.000	0.000
0.000	0.000	0.000	0.000	0.000	0.000
0.000	0.000	0.000	0.000	0.000	0.000
0.000	0.000	0.000	0.000	0.000	0.000

-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000

0.372	0.000	0.000	0.000	0.000	0.000
0.000	0.372	0.000	0.000	0.000	0.000
0.000	0.000	0.000	0.000	0.000	0.000
0.000	0.000	0.000	0.000	0.000	0.000
0.000	0.000	0.000	0.000	0.000	0.000
0.000	0.000	0.000	0.000	0.000	0.000

-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000

0.000	0.000	-0.000	-0.000	0.000
-0.000	0.000	0.000	0.000	0.000
-0.000	-0.097	0.000	-0.000	0.000
0.000	0.000	-0.000	0.000	-0.000
0.000	0.000	-0.000	-0.000	0.000
-0.000	0.000	-0.000	-0.000	0.000

-0.000	-0.000	-0.000	0.000	-0.000	-0.000
0.000	-0.000	-0.000	0.000	-0.000	-0.000
0.000	-0.000	0.187	0.000	0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
-0.000	-0.000	-0.000	-0.000	-0.000	-0.000
0.000	-0.000	-0.000	0.000	-0.000	-0.000

Phonon and Quasi-Harmonic Approximation Predictions

Phonon band structures and crystal properties estimated from quasi-harmonic approximation (QHA) calculations are displayed for select crystals. The calculations were performed using phonopy and LAMMPS. For the phonon calculations, 3x3 supercells of the potential-specific relaxed crystals were used. The QHA calculations were based on 11 strain states ranging from -0.05 to 0.05.

The calculation method used is available as the iprPy phonon calculation method.

Notes and Disclaimers:

The thermodynamic properties estimated from QHA are based on the assumption that only volumetric changes affect the phonon behaviors as the temperature changes. This tends to give good predictions at lower temperatures but ignores anharmonic effects such as phonon coupling and vacancy formation that can be important at higher temperatures.
Note that direct molecular dynamics (MD) simulations using the same potentials will disagree with the thermodynamics properties listed here for the lowest temperatures. The MD results are purely classical in nature and therefore lack a zero-point energy, whereas the phonon calculations inherently provide a zero-point energy.
The structures explored here are taken from the dynamically relaxed structures above. Despite the rigorous relaxation method used, some of these structures prove to be unstable once internal deformations are added. The phonon results may reflect this and give bad band gap predictions for these unstable crystals.
All QHA calculations performed here use the same set of strains which might not be ideal for all crystals. Be sure to check the bulk modulus and Helmholtz vs. volume plots to verify if the QHA strained states are reasonable for each crystal of interest.
QHA results may not be available for all crystal structures that have phonon results. Missing QHA results indicates an issue either with the strained states or with the QHA calculation itself.
NIST disclaimer

Version Information:

2023-03-14. Phonon and QHA plots added

Band Structures, Density of States, and QHA Verification Plots

Composition:

Prototype:

a₀:

plot:

Prototype:

a₀:

plot:

Thermodynamic Predictions

Composition:

Plot:

Download data

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1990--Vashishta-P--Si-O--LAMMPS--ipr1/phonon.O107Si48.G.png

MD Solid Property Predictions

Plots of lattice and elastic constants are shown as a function of temperature. The 0K points were taken from the Crystal Structure Predictions and the Elastic Constants Predictions sections above for the unique crystal structures relaxed with the "dynamic" method. Starting from the 0 K relaxed crystal unit cells, supercell systems are created by replicating all three dimensions by the same multiplier to achieve at least 4000 atoms. The systems are then relaxed at 50 K and zero pressure using 1 million NPT steps. Lattice constants are estimated by averaging the measured box dimensions. Temperatures are iteratively increased by 50 K, with each subsequent relaxation calculation starting from the final atomic configuration at the previous temperature and relaxing for another 1 million steps.

The elastic constants are calculated using the deformation–fluctuation hybrid method. Starting from the final atomic configurations of the dynamic relaxations, the system is allowed to evolve at constant volume with a Langevin thermostat. The Born matrix is computed during this run by evaluating how the atomic forces would vary due to applied linear strain fields. The elastic constants can then be estimated using the averaged Born matrix values and the averaged stresses on the system.

The calculation methods used are available as the iprPy relax_dynamic and elastic_constants_dynamic calculation methods.

Clicking on the image of a plot will open an interactive version of it in a new tab. The underlying data for the plots can be downloaded by clicking on the links above each plot.

Notes and Disclaimers:

The maximum temperature shown for a crystal either corresponds to the maximum value that has been computed so far, or the maximum value that the structure is believed to have remained untransformed. The unstable/transformation temperature identification is mostly automated and can miss transitions not associated with large discontinuities in property values with changing temperature.
For succinctness, the elastic constants displayed here are averaged according to the 0 K structure's crystal symmetry family. If the structures deviate from the expected symmetry at higher temperatures, the values may not be valid. Raw results are available for verification if requested.
NIST disclaimer

Version Information:

2025-08-07. Plots added.

Composition:

Prototype:

a₀:

Download data

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1990--Vashishta-P--Si-O--LAMMPS--ipr1/mdsolid.O.A1--Cu--fcc.a8415f96.a

Click on plot to load interactive version

1990--Vashishta-P--Si-O--LAMMPS--ipr1//mdsolid.O.A1--Cu--fcc.a8415f96.Cij

MD Thermodynamic Predictions

Plots of internal energy, Gibbs free energy, entropy, heat capacity and volume are shown here as a function of temperature for various crystal structures and liquid phases. The included crystal structures correspond to those in the Solid Structures vs. Temperature section, and the liquid phases to those in the Liquid Properties section. Internal energy and volume are taken from the associated structure relaxations mentioned in those previous sections. Constant pressure heat capacity is estimated using 3-point numerical derivatives of enthalpy versus temperature. Note that since all simulations done here are at 0 pressure, internal energy and enthalpy are equivalent.

The Gibbs energies of the phases are estimated using thermodynamic integration between the interatomic potential in question and a simpler model with known Gibbs free energy values. For solids, the reference model is an Einstein solid, while for liquids it is the Uhlenbeck-Ford potential. Besides a short run at the start of the solid calculations to estimate Einstein model spring constants, the two calculations proceed similarly. Starting with the final relaxation configurations, the systems are stabilized for 25,000 steps. Then, over the next 50,000 steps the potential is swapped out for the reference potential. The system is then stabilized for another 25,000 steps with the reference model before a reverse swap of 50,000 steps is performed. The simulation ends with one final 25,000 step stabilization period. From the simulation, the irreversible work of transformation is estimated and used to compute the absolute Gibbs free energy of the target phase and potential relative to the reference potential. Entropy is estimated as the difference in enthalpy and Gibbs free energy and divided by temperature.

The calculation methods used are available as the iprPy relax_dynamic, relax_liquid_redo, free_energy, and free_energy_liquid calculation methods.

Clicking on the image of a plot will open an interactive version of it in a new tab. The underlying data for the plots can be downloaded by clicking on the links above each plot.

Notes and Disclaimers:

Good free energy estimates require that the initial and final phases before and after the thermodynamic integration remain the same. This is not an issue with the liquid calculations as the Uhlenbeck-Ford model always predicts a liquid, but may be an issue for the solid phase estimates. This is likely to be an issue for non-compact phases which the Einstein model is poor at representing.
NIST disclaimer

Version Information:

2025-08-07. Plots added.

Composition:

Property:

Download data

Click on plot to load interactive version

1990--Vashishta-P--Si-O--LAMMPS--ipr1/mdthermo.O.U

0.010	0.003	0.043	0.009	-0.000	-0.000
0.001	0.009	0.034	-0.011	-0.000	-0.000
0.048	0.048	0.402	-0.000	-0.000	-0.000
0.010	0.003	0.041	0.010	-0.000	-0.000
0.006	0.002	0.031	0.006	0.010	0.004
0.004	0.001	0.011	0.004	0.007	0.002

0.015	0.005	0.042	0.014	-0.000	-0.000
0.000	0.015	0.032	-0.022	-0.000	0.000
0.055	0.055	0.407	-0.000	-0.000	-0.000
0.014	0.005	0.039	0.013	-0.000	-0.000
0.015	0.005	0.041	0.015	0.025	0.009
0.003	0.001	0.008	0.003	0.005	0.002

0.011	0.004	0.054	0.011	0.000	0.000
0.001	0.009	0.044	-0.011	-0.000	-0.000
0.048	0.048	0.412	-0.000	-0.000	-0.000
0.010	0.003	0.050	0.009	0.000	0.000
0.006	0.002	0.041	0.006	0.010	0.004
0.004	0.001	0.018	0.004	0.006	0.002

0.021	0.007	0.055	0.020	-0.000	-0.000
0.005	0.021	0.052	-0.022	0.000	0.000
0.060	0.060	0.424	0.000	0.000	0.000
0.019	0.006	0.051	0.017	0.000	0.000
0.016	0.005	0.048	0.015	0.026	0.009
0.005	0.002	0.014	0.005	0.009	0.003

0.450	0.153	0.000
0.153	0.052	-0.000
0.000	0.000	-0.000
-0.000	-0.000	-0.000
-0.000	-0.000	-0.000
-0.000	0.000	0.153

0.023	0.008	0.062	0.000	0.000	-0.000
0.007	0.022	0.061	-0.000	0.000	-0.000
0.061	0.061	0.434	-0.000	0.000	-0.000
0.010	0.017	0.056	0.031	-0.000	0.000
0.018	0.006	0.049	0.000	0.032	-0.000
0.006	0.002	0.016	0.000	-0.000	0.004

-59.816	-78.699	-0.638	-0.000	0.079	-0.000
-62.298	-81.964	-0.665	-0.000	0.082	-0.000
-62.282	-81.943	-0.664	-0.000	0.082	-0.000
-62.263	-81.917	-0.664	0.000	0.082	0.000
-62.118	-81.727	-0.663	0.000	0.082	0.000
-63.014	-82.906	-0.672	0.000	0.083	0.009

61.715	81.196	0.658	-0.081	-0.000
61.454	80.854	0.656	-0.081	0.000
61.681	81.153	0.658	-0.081	0.000
62.263	81.917	0.664	-0.082	0.000
61.540	80.966	0.656	-0.081	-0.000
63.014	82.906	0.672	-0.083	0.009

-6.147	-8.088	-0.066	-0.000	0.008	0.000
-6.048	-7.957	-0.065	-0.000	0.008	0.000
-6.199	-8.155	-0.066	-0.000	0.008	0.000
-6.301	-8.291	-0.067	0.000	0.008	0.000
-6.140	-8.078	-0.065	-0.000	0.008	0.000
-6.273	-8.253	-0.067	0.000	0.008	0.010

6.154	8.097	0.066	-0.008	-0.000
6.181	8.132	0.066	-0.008	0.000
6.156	8.099	0.066	-0.008	0.000
6.301	8.291	0.067	-0.008	0.000
6.221	8.185	0.066	-0.008	0.000
6.299	8.288	0.067	-0.008	0.010

-0.623	-0.819	-0.007	-0.000	0.001	-0.000
-0.611	-0.804	-0.007	-0.000	0.001	-0.000
-0.624	-0.821	-0.007	-0.000	0.001	-0.000
-0.630	-0.828	-0.007	0.000	0.001	0.000
-0.618	-0.813	-0.007	0.000	0.001	-0.000
-0.630	-0.829	-0.007	0.000	0.001	0.009

0.618	0.813	0.007	-0.000	-0.001	0.000
0.615	0.809	0.007	0.000	-0.001	0.000
0.626	0.823	0.007	0.000	-0.001	0.000
0.630	0.828	0.007	0.000	-0.001	0.000
0.610	0.802	0.007	0.000	-0.001	-0.000
0.630	0.829	0.007	0.000	-0.001	0.009

-0.000	-0.004	-0.010	0.006	-0.002	0.001
-0.000	-0.002	-0.004	0.003	-0.001	0.000
-0.000	-0.002	-0.005	0.003	-0.001	0.001
-0.001	-0.008	-0.020	0.013	-0.003	0.002
-0.000	-0.003	-0.008	0.005	-0.001	0.001
-0.000	-0.005	-0.012	0.007	-0.002	0.001

0.038	0.000	0.124	0.000	0.069	-0.000
0.000	0.378	0.000	0.000	0.000	0.000
0.068	0.000	0.222	-0.000	0.123	-0.000
-0.000	0.000	-0.000	-0.000	-0.000	-0.000
0.037	0.000	0.123	0.000	0.068	0.000
-0.000	-0.000	-0.000	0.000	-0.000	-0.000

-1.767	-5.786	0.000	3.198
-1.767	-5.786	0.000	3.198
-1.700	-5.565	0.000	3.076
-1.767	-5.786	-0.000	3.198
-1.805	-5.908	0.000	3.265
-1.767	-5.786	0.000	3.198

1.767	-0.000	5.786	-0.000	-3.198	-0.000
1.767	-0.000	5.786	0.000	-3.198	-0.000
1.835	-0.000	6.007	-0.000	-3.320	-0.000
1.767	-0.000	5.786	-0.000	-3.198	0.000
1.730	-0.000	5.664	-0.000	-3.130	-0.000
1.767	-0.000	5.786	-0.000	-3.198	-0.000

-0.177	-0.579	0.000	0.320
-0.177	-0.579	0.000	0.320
-0.109	-0.358	0.000	0.198
-0.177	-0.579	-0.000	0.320
-0.214	-0.701	0.000	0.387
-0.177	-0.579	-0.000	0.320

0.177	-0.000	0.579	-0.000	-0.320	-0.000
0.177	-0.000	0.579	-0.000	-0.320	-0.000
0.244	-0.000	0.799	-0.000	-0.442	-0.000
0.177	-0.000	0.579	-0.000	-0.320	0.000
0.139	-0.000	0.457	-0.000	-0.252	-0.000
0.177	-0.000	0.579	-0.000	-0.320	-0.000

-0.018	-0.058	0.000	0.032
-0.018	-0.058	0.000	0.032
0.050	0.163	0.000	-0.090
-0.018	-0.058	-0.000	0.032
-0.055	-0.180	0.000	0.099
-0.018	-0.058	0.000	0.032

0.018	-0.000	0.058	-0.000	-0.032	-0.000
0.018	-0.000	0.058	-0.000	-0.032	-0.000
0.085	-0.000	0.279	-0.000	-0.154	-0.000
0.018	-0.000	0.058	-0.000	-0.032	0.000
-0.020	-0.000	-0.064	-0.000	0.035	-0.000
0.018	-0.000	0.058	-0.000	-0.032	-0.000

0.102	0.079	0.000	-0.000	0.000
0.000	0.000	0.000	0.000	0.000
0.109	0.251	0.000	0.000	0.000
-0.000	-0.000	-0.000	0.000	-0.000
0.021	-0.008	-0.000	0.083	0.000
-0.000	-0.000	0.000	-0.000	0.000

0.084	-0.000	0.086	0.000	-0.000	-0.000
0.000	-0.000	0.000	-0.000	-0.000	-0.000
0.066	-0.000	0.268	-0.000	-0.000	-0.000
0.000	-0.000	0.000	-0.000	-0.000	-0.000
-0.021	-0.000	0.008	-0.000	0.083	-0.000
0.000	-0.000	0.000	-0.000	-0.000	-0.000

0.048	0.100	-0.000	0.000
0.000	0.000	-0.000	0.000
0.101	0.254	0.000	-0.000
-0.000	-0.000	-0.000	-0.000
0.003	-0.001	0.000	0.009
-0.000	-0.000	0.000	-0.000

-0.412	-0.412	-0.412	-0.000	0.000	0.000
-0.412	-0.412	-0.412	0.000	0.000	0.000
-0.273	-0.273	-0.273	-0.000	0.000	-0.000
-0.573	-0.573	-0.573	0.001	-0.000	0.000
-0.603	-0.603	-0.603	0.000	0.000	0.000
-0.573	-0.573	-0.573	0.000	0.000	0.001

0.363	0.363	0.363	0.000	-0.000	-0.000
0.363	0.363	0.363	0.000	-0.000	-0.000
0.363	0.363	0.363	0.000	-0.000	0.000
0.573	0.573	0.573	0.001	-0.000	-0.000
0.603	0.603	0.603	-0.000	0.000	-0.000
0.573	0.573	0.573	-0.000	0.000	0.001

0.045	0.048	0.082	0.000	0.000	0.000
0.049	0.146	0.171	-0.000	0.000	0.000
0.082	0.170	0.221	0.000	0.000	0.000
0.031	0.075	0.093	0.088	0.000	0.000
0.029	0.033	0.054	-0.000	0.041	0.000
0.022	0.024	0.041	-0.000	0.000	0.024

0.044	0.049	0.081	-0.000	0.000	-0.000
0.048	0.146	0.170	-0.000	0.000	-0.000
0.081	0.171	0.221	0.000	0.000	0.000
0.031	0.078	0.095	0.085	0.000	0.000
0.030	0.033	0.055	-0.000	0.040	0.000
0.022	0.025	0.041	-0.000	0.000	0.023

0.026	0.055	0.071	0.000	0.000	0.000
0.052	0.144	0.173	0.000	0.000	0.000
0.073	0.173	0.217	-0.000	0.000	0.000
0.028	0.077	0.092	0.083	0.000	0.000
0.023	0.046	0.061	-0.000	0.030	0.000
0.009	0.023	0.028	-0.000	0.000	0.009

0.379	0.000	0.000	0.000	0.000	0.000
0.000	0.000	0.000	0.000	0.000	0.000
0.000	0.000	0.000	0.000	0.000	0.000
0.000	0.000	0.000	0.000	0.000	0.000
0.000	0.000	0.000	0.000	0.000	0.000
0.000	0.000	0.000	0.000	0.000	0.000

0.198	0.185	0.335	-0.000	-0.000	-0.000
0.185	0.198	0.335	-0.000	-0.000	-0.000
0.096	0.096	0.489	-0.000	-0.000	-0.000
0.122	0.122	0.188	0.058	-0.000	-0.000
0.212	0.212	0.328	-0.000	0.053	-0.000
0.164	0.164	0.254	0.000	0.000	0.007