× 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.

× Updated! Potentials that share interactions are now listed as related models.

1990--Tersoff-J--Si-C

Citation: J. Tersoff (1990), "Carbon defects and defect reactions in silicon", Physical Review Letters, 64(15), 1757-1760. DOI: 10.1103/physrevlett.64.1757.

Abstract: The energies of carbon defects in silicon are calculated, using an empirical classical potential, and used to infer defect properties and reactions. Substitutional carbon is found to react with silicon interstitials, with the carbon "kicked out" to form a (100) split interstitial. This interstitial can in turn bind to a second substitutional carbon, relieving stress, in three configurations with similar energies. The results here accord well with a variety of experimental data, including defect structures, activation energies for defect motion, and coupling to strain. A discrepancy with the accepted values for carbon solubility in silicon suggests a reinterpretation of the experimental data.

Notes: This parameterization focused on studying C interstitials in bulk Si. It has a sharp cutoff not suited for unconstrained simulations.

LAMMPS pair_style tersoff (1990--Tersoff-J--Si-C--LAMMPS--ipr1)

See Computed Properties
Notes: This file was created and verified by Lucas Hale. The parameter values are comparable to the SiC_1990.tersoff file in the August 22, 2018 LAMMPS distribution, with this file having higher numerical precision for the derived mixing parameters.
File(s):

1990_SiC.tersoff

Implementation Information

This page displays computed properties for the 1990--Tersoff-J--Si-C--LAMMPS--ipr1 implementation of the 1990--Tersoff-J--Si-C potential. Computed values for other implementations can be seen by clicking on the links below:

1990--Tersoff-J--Si-C--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

Click on plot to load interactive version

1990--Tersoff-J--Si-C--LAMMPS--ipr1/diatom

Click on plot to load interactive version

1990--Tersoff-J--Si-C--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

Click on plot to load interactive version

1990--Tersoff-J--Si-C--LAMMPS--ipr1/EvsR.C

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:

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-1214512
A15--beta-W = oqmd-1214957
A2--W--bcc = oqmd-1215135
A3'--alpha-La--double-hcp = oqmd-1215403
A3--Mg--hcp = oqmd-1215313
A4--C--dc = mp-66, oqmd-675640
A5--beta-Sn = oqmd-1215581
A6--In--bct = mp-1181996, oqmd-1215670
A7--alpha-As = mp-169, oqmd-594528
Ah--alpha-Po--sc = mp-998866, oqmd-636457, oqmd-1214601

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
oqmd-599491	dynamic	-7.473	-7.473	2.5147	2.5147	12.3194	90.0	90.0	120.0
mp-569517	dynamic	-7.473	-7.473	2.5147	2.5147	30.7984	90.0	90.0	120.0
oqmd-599492	dynamic	-7.473	-7.473	2.5147	2.5147	16.4258	90.0	90.0	120.0
mp-569567	dynamic	-7.473	-7.473	2.5147	2.5147	43.1178	90.0	90.0	120.0
A4--C--dc	dynamic	-7.473	-7.473	3.5563	3.5563	3.5563	90.0	90.0	90.0
oqmd-599489	box	-7.4729	-7.4729	2.5139	2.5139	4.1091	90.0	90.0	120.0
mp-47	box	-7.4729	-7.4729	2.5138	2.5138	4.1093	90.0	90.0	120.0
mp-616440	box	-7.4724	-7.4724	2.5147	2.5147	16.4266	90.0	90.0	120.0
oqmd-599492	box	-7.4723	-7.4723	2.5143	2.5143	16.4317	90.0	90.0	120.0
mp-611448	box	-7.4721	-7.4721	2.5146	2.5146	12.3219	90.0	90.0	120.0
oqmd-599491	box	-7.4721	-7.4721	2.5144	2.5144	12.3237	90.0	90.0	120.0
mp-569567	box	-7.472	-7.472	2.5151	2.5151	43.1083	90.0	90.0	120.0
oqmd-599493	box	-7.4719	-7.4719	2.5145	2.5145	30.8067	90.0	90.0	120.0
mp-569517	box	-7.4719	-7.4719	2.5146	2.5146	30.8043	90.0	90.0	120.0
mp-611426	box	-7.4718	-7.4718	2.5144	2.5144	8.2161	90.0	90.0	120.0
oqmd-599494	static	-7.4716	-7.4716	2.5143	2.5143	43.3603	90.0	90.0	120.0
oqmd-599490	box	-7.4716	-7.4716	2.5145	2.5145	8.2157	90.0	90.0	120.0
mp-1008374	static	-6.2209	-6.2209	2.5	8.4118	2.5944	90.0	90.0	90.0
mp-1078845	box	-6.2114	-6.2114	4.3691	9.1493	2.5594	90.0	90.0	90.0
oqmd-637130	static	-5.9066	-5.9066	9.6693	2.6736	4.4195	90.0	90.0	90.0
mp-1190171	static	-5.9018	-5.9018	9.6675	2.6739	4.4203	90.0	90.0	90.0
mp-1080826	static	-5.8825	-5.8825	9.7608	2.6895	4.4128	90.0	95.1	90.0
oqmd-637352	static	-5.8639	-5.8639	9.7645	2.6897	4.4114	90.0	95.1	90.0
mp-24	static	-5.7812	-5.7812	4.6807	4.6807	4.6807	90.0	90.0	90.0
A7--alpha-As	dynamic	-5.6055	-5.6055	2.5205	2.5205	10.21	90.0	90.0	120.0
mp-632329	dynamic	-5.6055	-5.6055	4.3656	2.5205	3.1599	90.0	93.7	90.0
mp-570002	static	-5.5449	-5.5449	5.4354	5.4354	5.4354	90.0	90.0	90.0
Ah--alpha-Po--sc	dynamic	-5.4618	-5.4618	1.7678	1.7678	1.7678	90.0	90.0	90.0
Ah--alpha-Po--sc	static	-5.4615	-5.4615	1.7681	1.7681	1.7681	90.0	90.0	90.0
mp-667273	static	-5.4046	-5.4046	15.1684	15.1684	15.1684	90.0	90.0	90.0
mp-1196583	static	-5.4046	-5.4046	15.4547	15.4547	15.4547	90.0	90.0	90.0
mp-683919	static	-5.3973	-5.3973	10.9998	18.8205	19.3794	90.0	90.0	90.0
mp-624889	box	-5.3885	-5.3885	5.0896	5.4104	6.1271	90.0	90.0	90.0
oqmd-603085	box	-5.3845	-5.3845	15.0082	15.0082	15.0082	90.0	90.0	90.0
mp-1196583	box	-5.3843	-5.3843	15.4554	15.4554	15.4554	90.0	90.0	90.0
mp-667273	box	-5.381	-5.381	15.1709	15.1709	15.1709	90.0	90.0	90.0
oqmd-677227	box	-5.3706	-5.3706	15.2265	15.2265	15.2265	90.0	90.0	90.0
mp-1147718	static	-5.3542	-5.3542	11.0444	15.8716	9.8746	90.0	90.0	90.0
mp-683919	box	-5.3388	-5.3388	11.0021	18.8346	19.4033	90.0	90.0	90.0
mp-1147718	box	-5.3336	-5.3336	11.0491	15.8769	9.8915	90.0	90.0	90.0
mp-568286	dynamic	-5.3137	-5.3137	2.6939	4.6659	8.0283	90.0	90.0	90.0
mp-568286	static	-5.3137	-5.3137	4.6659	2.6939	8.0283	90.0	90.0	90.0
mp-48	static	-5.3137	-5.3137	2.6939	2.6939	7.8031	90.0	90.0	120.0
mp-937760	dynamic	-5.3137	-5.3137	2.6939	4.6659	7.98	90.0	90.0	90.0
mp-568363	static	-5.3137	-5.3137	4.6659	2.6939	8.1499	90.0	90.0	90.0
mp-990448	dynamic	-5.3137	-5.3137	2.6939	2.6939	9.9991	90.0	90.0	120.0
mp-568806	dynamic	-5.3137	-5.3137	2.6939	2.6939	3.83	90.0	90.0	120.0
oqmd-1215937	dynamic	-5.3137	-5.3137	2.6939	2.6939	7.3725	90.0	90.0	120.0
mp-1040425	dynamic	-5.3137	-5.3137	2.6939	2.6939	19.9983	90.0	90.0	120.0
mp-568363	dynamic	-5.3137	-5.3137	2.6939	4.6659	8.1499	90.0	90.0	90.0
oqmd-637444	box	-5.3137	-5.3137	4.3991	4.3991	4.3991	90.0	90.0	90.0
oqmd-595714	static	-5.3135	-5.3135	9.7704	9.8413	15.7471	90.0	90.0	90.0
mp-630227	static	-5.3069	-5.3069	9.8489	9.8548	16.5166	90.0	90.0	90.0
oqmd-614417	static	-5.2862	-5.2862	9.8295	9.8295	26.3586	90.0	90.0	120.0
mp-680372	static	-5.2824	-5.2824	9.8448	9.8448	27.1525	90.0	90.0	120.0
oqmd-610552	static	-5.2813	-5.2813	5.0	5.8971	6.7206	90.0	90.0	90.0
oqmd-684627	static	-5.279	-5.279	9.8093	9.8093	16.5558	90.0	90.0	90.0
mp-1188817	box	-5.2764	-5.2764	5.5556	5.5556	5.5556	90.0	90.0	90.0
oqmd-637443	box	-5.2754	-5.2754	5.5561	5.5561	5.5561	90.0	90.0	90.0
mp-579909	static	-5.2738	-5.2738	5.0	5.9139	7.1127	90.0	90.0	90.0
mp-1078845	dynamic	-5.2691	-5.2691	3.6675	10.2091	2.9503	90.0	90.0	90.0
oqmd-614417	box	-5.2403	-5.2403	9.8546	9.8546	26.389	90.0	90.0	120.0
mp-680372	box	-5.2359	-5.2359	9.8702	9.8702	27.1857	90.0	90.0	120.0
mp-570002	dynamic	-5.2345	-5.2345	5.4802	5.4802	5.4802	90.0	90.0	90.0
oqmd-610557	box	-5.2061	-5.2061	5.0663	5.6717	4.7913	90.0	90.0	90.0
oqmd-610556	box	-5.2043	-5.2043	5.0638	5.682	4.7908	90.0	90.0	90.0
oqmd-637353	box	-5.2009	-5.2009	4.7208	4.7208	2.6026	90.0	90.0	90.0
mp-1008395	box	-5.2008	-5.2008	4.7208	4.7208	2.6025	90.0	90.0	90.0
mp-568410	box	-5.1988	-5.1988	5.0566	5.7103	4.7894	90.0	90.0	90.0
oqmd-689315	static	-5.1505	-5.1505	10.9268	18.9116	19.6598	90.0	90.0	90.0
mp-1205283	static	-4.9272	-4.9272	10.81	14.3311	9.7739	90.0	90.0	90.0
mp-1188817	dynamic	-4.9178	-4.9178	5.6895	5.6895	5.6895	90.0	90.0	90.0
mp-568028	static	-4.9097	-4.9097	9.1903	15.393	10.5738	90.0	90.0	90.0
mp-568028	box	-4.8714	-4.8714	9.1042	15.2041	10.4823	90.0	90.0	90.0
oqmd-1215224	static	-4.8382	-4.8382	1.8298	2.9286	3.7378	90.0	101.3	90.0
A3'--alpha-La--double-hcp	static	-4.7172	-4.7172	2.6146	2.6146	3.9857	90.0	90.0	120.0
A7--alpha-As	static	-4.6485	-4.6485	2.5029	2.5029	6.9065	90.0	90.0	120.0
oqmd-689315	box	-4.6293	-4.6293	10.9534	19.3718	19.8883	90.0	90.0	90.0
mp-1095534	dynamic	-4.4058	-4.4058	9.8406	9.8406	2.8192	90.0	90.0	90.0
A5--beta-Sn	static	-4.3501	-4.3501	3.8579	3.8579	2.1204	90.0	90.0	90.0
mp-1245190	static	-4.2588	-4.2588	11.4207	11.5951	11.7555	91.9	90.5	92.0
mp-1245190	box	-4.2272	-4.2272	11.456	11.5883	11.7594	92.2	90.6	91.8
A6--In--bct	dynamic	-4.1888	-4.1888	1.7678	1.7678	6.3803	90.0	90.0	90.0
A6--In--bct	static	-4.1888	-4.1888	1.7678	1.7678	6.2432	90.0	90.0	90.0
A6--In--bct	dynamic	-4.1702	-4.1702	1.7678	1.7678	6.2432	90.0	90.0	90.0
mp-1244964	static	-4.0469	-4.0469	11.3209	11.6882	12.4463	90.6	94.6	93.2
mp-1147718	dynamic	-4.0418	-4.0418	10.026	12.439	7.5313	90.0	90.0	90.0
mp-1205283	dynamic	-4.0366	-4.0366	8.6332	13.0359	8.4181	90.0	90.0	90.0
mp-1244964	box	-4.0124	-4.0124	11.3459	11.7246	12.4729	90.6	94.6	93.2
mp-568028	dynamic	-4.008	-4.008	7.6642	13.249	8.589	90.0	90.0	90.0
oqmd-684315	dynamic	-3.9887	-3.9887	9.2876	12.608	8.5951	90.0	90.0	90.0
mp-683919	dynamic	-3.9856	-3.9856	9.5504	15.681	17.5861	90.0	90.0	90.0
mp-667273	dynamic	-3.944	-3.944	13.5889	13.5889	13.5889	90.0	90.0	90.0
mp-1244913	static	-3.8852	-3.8852	11.9547	12.0099	12.4551	92.1	96.5	92.6
oqmd-689315	dynamic	-3.8523	-3.8523	9.2216	17.2322	16.9143	90.0	90.0	90.0
oqmd-684627	dynamic	-3.8362	-3.8362	8.465	8.465	13.8558	90.0	90.0	90.0
mp-1008374	dynamic	-3.8348	-3.8348	3.2008	8.3858	1.9786	90.0	90.0	90.0
oqmd-684315	box	-3.8164	-3.8164	11.2031	16.8861	9.8962	90.0	90.0	90.0
mp-1244913	box	-3.7983	-3.7983	12.0082	12.0923	12.5554	92.3	96.3	92.5
oqmd-677227	dynamic	-3.6928	-3.6928	13.0861	13.0861	13.0861	90.0	90.0	90.0
A2--W--bcc	static	-3.6827	-3.6827	2.5	2.5	2.5	90.0	90.0	90.0
mp-1095534	static	-3.6789	-3.6789	11.3011	11.3011	2.5	90.0	90.0	90.0
mp-1245190	dynamic	-3.6737	-3.6737	9.1891	9.6412	9.6983	89.7	85.6	88.0
mp-1244913	dynamic	-3.6491	-3.6491	9.3312	9.7323	9.7588	91.0	96.1	93.4
mp-1244964	dynamic	-3.6473	-3.6473	9.0547	9.0564	9.5007	92.8	91.6	91.5
mp-1196583	dynamic	-3.563	-3.563	13.1312	13.1312	13.1312	90.0	90.0	90.0
A1--Cu--fcc	dynamic	-3.5579	-3.5579	2.929	2.929	2.929	90.0	90.0	90.0
A3'--alpha-La--double-hcp	box	-3.5576	-3.5576	2.071	2.071	6.7651	90.0	90.0	120.0
A3--Mg--hcp	dynamic	-3.5572	-3.5572	2.0709	2.0709	3.383	90.0	90.0	120.0
mp-1096869	dynamic	-3.5143	-3.5143	25.8421	14.4349	6.0141	90.0	90.3	90.0
mp-1095633	static	-3.5092	-3.5092	7.2874	7.2874	8.0184	90.0	90.0	90.0
mp-1192619	dynamic	-3.5029	-3.5029	7.3125	7.3125	7.3125	90.0	90.0	90.0
A5--beta-Sn	static	-3.4657	-3.4657	3.6657	3.6657	1.9302	90.0	90.0	90.0
mp-1182684	box	-3.3278	-3.3278	16.6102	13.4253	17.0427	90.0	90.1	90.0
mp-1182692	static	-3.2673	-3.2673	9.3296	11.2692	28.3942	81.1	86.8	67.3
mp-1097832	dynamic	-3.2557	-3.2557	3.2852	1.8967	9.8799	90.0	90.0	90.0
mp-1056957	dynamic	-3.2557	-3.2557	1.8967	3.2852	6.399	90.0	90.0	90.0
oqmd-1216026	dynamic	-3.2557	-3.2557	1.8967	3.2852	9.1611	90.0	92.6	90.0
mp-1182692	box	-3.2274	-3.2274	9.3261	11.3667	28.6208	80.9	86.6	67.1
mp-1197903	static	-3.1663	-3.1663	9.0985	10.8668	28.2738	95.9	95.8	106.7
A15--beta-W	dynamic	-3.0989	-3.0989	3.769	3.769	3.769	90.0	90.0	90.0
mp-1205417	box	-3.0044	-3.0044	14.1585	14.1585	8.2188	90.0	90.0	90.0
A2--W--bcc	dynamic	-3.0007	-3.0007	2.3773	2.3773	2.3773	90.0	90.0	90.0
A15--beta-W	static	-2.9742	-2.9742	4.0825	4.0825	4.0825	90.0	90.0	90.0
mp-1192619	box	-2.8839	-2.8839	10.7435	10.7435	10.7435	90.0	90.0	90.0
mp-1182029	dynamic	-2.5242	-2.5242	1.6531	3.3388	3.4498	90.0	99.6	90.0
mp-1182029	static	-2.5242	-2.5242	1.6531	3.3388	3.4306	90.0	97.5	90.0
oqmd-1214868	dynamic	-2.277	-2.277	6.7657	6.7657	6.7657	90.0	90.0	90.0
oqmd-1214868	static	-1.9662	-1.9662	8.2713	8.2713	8.2713	90.0	90.0	90.0
oqmd-1214868	box	-1.7786	-1.7786	8.2238	8.2238	8.2238	90.0	90.0	90.0
oqmd-684315	static	-0.9277	-0.9277	10.1439	15.1932	9.389	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-1102811	box	-5.8364	-5.8364	4.6982	4.6982	4.6982	90.0	90.0	90.0
C1--CaF2--fluorite	static	-5.2566	-5.2566	5.0	5.0	5.0	90.0	90.0	90.0
mp-1019097	box	-5.0411	-5.0411	3.0981	3.0981	7.4639	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)
A15--Cr3Si	dynamic	-4.4581	-4.4581	4.0825	4.0825	4.0825	90.0	90.0	90.0
D0_3--BiF3	dynamic	-4.079	-4.079	5.0	5.0	5.0	90.0	90.0	90.0
D0_3--BiF3	static	-4.0546	-4.0546	5.0	5.0	5.0	90.0	90.0	90.0
mp-972848	static	-3.8609	-3.8609	2.6749	2.6749	12.8783	90.0	90.0	90.0
A15--Cr3Si	static	-3.7682	-3.7682	4.0825	4.0825	4.0825	90.0	90.0	90.0
L1_2--AuCu3	dynamic	-3.5103	-3.5103	3.22	3.22	3.22	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-1219306	box	-4.2716	-4.2716	8.6662	8.6662	8.6331	90.0	90.0	120.0

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
mp-1179504	static	-4.4857	-4.4857	5.2837	11.5956	11.8395	69.6	87.9	87.7
mp-1179504	box	-4.4593	-4.4593	5.2795	11.5918	11.9194	69.1	88.0	88.0
mp-1202928	box	-4.3423	-4.3423	4.9402	12.0825	12.2208	118.2	90.5	98.8

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
mp-1200168	dynamic	-6.2098	-6.2098	3.0456	3.0456	216.3449	90.0	90.0	120.0
mp-1200848	dynamic	-6.2098	-6.2098	3.0456	3.0456	186.5042	90.0	90.0	120.0
mp-568696	dynamic	-6.2098	-6.2098	3.0456	3.0456	34.8141	90.0	90.0	120.0
mp-567551	dynamic	-6.2098	-6.2098	3.0456	3.0456	39.7876	90.0	90.0	120.0
mp-570985	dynamic	-6.2098	-6.2098	3.0456	3.0456	67.1415	90.0	90.0	120.0
mp-568735	dynamic	-6.2098	-6.2098	3.0456	3.0456	44.761	90.0	90.0	120.0
mp-624397	dynamic	-6.2098	-6.2098	3.0456	3.0456	82.0619	90.0	90.0	120.0
mp-571298	dynamic	-6.2098	-6.2098	3.0456	3.0456	96.9822	90.0	90.0	120.0
mp-570791	dynamic	-6.2098	-6.2098	3.0456	3.0456	47.2477	90.0	90.0	120.0
mp-1204356	dynamic	-6.2098	-6.2098	3.0456	3.0456	141.7432	90.0	90.0	120.0
mp-9947	dynamic	-6.2098	-6.2098	3.0456	3.0456	52.2212	90.0	90.0	120.0
mp-1199063	dynamic	-6.2098	-6.2098	3.0456	3.0456	208.8847	90.0	90.0	120.0
mp-570641	dynamic	-6.2098	-6.2098	3.0456	3.0456	59.6813	90.0	90.0	120.0
B3--ZnS--cubic-zinc-blende	dynamic	-6.2098	-6.2098	4.3071	4.3071	4.3071	90.0	90.0	90.0
mp-1200692	dynamic	-6.2098	-6.2098	3.0456	3.0456	126.8229	90.0	90.0	120.0
mp-571286	dynamic	-6.2098	-6.2098	3.0456	3.0456	89.522	90.0	90.0	120.0
mp-568619	box	-6.2098	-6.2098	3.046	3.046	12.4304	90.0	90.0	120.0
mp-1204356	box	-6.2097	-6.2097	3.0463	3.0463	141.6821	90.0	90.0	120.0
mp-567505	box	-6.2097	-6.2097	3.0462	3.0462	19.8867	90.0	90.0	120.0
mp-568696	box	-6.2097	-6.2097	3.0462	3.0462	34.7996	90.0	90.0	120.0
mp-582034	box	-6.2097	-6.2097	3.0463	3.0463	52.1986	90.0	90.0	120.0
mp-9947	box	-6.2097	-6.2097	3.0464	3.0464	52.1933	90.0	90.0	120.0
mp-567551	box	-6.2097	-6.2097	3.0463	3.0463	39.77	90.0	90.0	120.0
mp-571286	box	-6.2097	-6.2097	3.0464	3.0464	89.4761	90.0	90.0	120.0
mp-1200692	box	-6.2097	-6.2097	3.0463	3.0463	126.7652	90.0	90.0	120.0
mp-7631	box	-6.2097	-6.2097	3.0464	3.0464	14.913	90.0	90.0	120.0
mp-570985	box	-6.2097	-6.2097	3.0464	3.0464	67.1068	90.0	90.0	120.0
mp-571298	box	-6.2097	-6.2097	3.0465	3.0465	96.9258	90.0	90.0	120.0
mp-568656	box	-6.2097	-6.2097	3.0463	3.0463	24.8554	90.0	90.0	120.0
mp-7140	box	-6.2097	-6.2097	3.0475	3.0475	4.9674	90.0	90.0	120.0
mp-568735	box	-6.2097	-6.2097	3.0465	3.0465	44.7365	90.0	90.0	120.0
mp-11713	box	-6.2097	-6.2097	3.0467	3.0467	37.2749	90.0	90.0	120.0
mp-570791	box	-6.2097	-6.2097	3.0466	3.0466	47.2169	90.0	90.0	120.0
mp-11714	box	-6.2096	-6.2096	3.0467	3.0467	9.9397	90.0	90.0	120.0
mp-570804	box	-6.2096	-6.2096	3.0474	3.0474	96.868	90.0	90.0	120.0
mp-570641	box	-6.2096	-6.2096	3.0476	3.0476	59.6027	90.0	90.0	120.0
mp-1197730	box	-6.2096	-6.2096	3.0467	3.0467	126.7306	90.0	90.0	120.0
mp-1200168	box	-6.2095	-6.2095	3.0479	3.0479	216.0232	90.0	90.0	120.0
mp-624397	box	-6.2095	-6.2095	3.048	3.048	81.9335	90.0	90.0	120.0
mp-570690	box	-6.2094	-6.2094	3.0481	3.0481	67.0307	90.0	90.0	120.0
mp-1200848	box	-6.2093	-6.2093	3.048	3.048	186.2137	90.0	90.0	120.0
B1--NaCl--rock-salt	dynamic	-5.1237	-5.1237	4.1322	4.1322	4.1322	90.0	90.0	90.0
B2--CsCl	dynamic	-4.6176	-4.6176	2.5379	2.5379	2.5379	90.0	90.0	90.0
L1_0--AuCu	static	-4.0491	-4.0491	2.5	2.5	3.2369	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)
C1--CaF2--fluorite	dynamic	-4.531	-4.531	5.0	5.0	5.0	90.0	90.0	90.0
C1--CaF2--fluorite	static	-4.4964	-4.4964	5.0	5.0	5.0	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)
D0_3--BiF3	static	-3.8491	-3.8491	5.7731	5.7731	5.7731	90.0	90.0	90.0
A15--Cr3Si	static	-3.0876	-3.0876	4.4721	4.4721	4.4721	90.0	90.0	90.0
L1_2--AuCu3	static	-3.0309	-3.0309	3.5353	3.5353	3.5353	90.0	90.0	90.0
A15--Cr3Si	static	-1.7818	-1.7818	4.6833	4.6833	4.6833	90.0	90.0	90.0
L1_2--AuCu3	dynamic	0.0	0.0	3.5998	3.5998	3.5998	90.0	90.0	90.0
D0_3--BiF3	dynamic	0.0	0.0	5.8128	5.8128	5.8128	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)
A4--C--dc	dynamic	-4.6296	-4.6296	5.432	5.432	5.432	90.0	90.0	90.0
mp-165	box	-4.6295	-4.6295	3.8381	3.8381	6.2818	90.0	90.0	120.0
oqmd-5764	box	-4.6295	-4.6295	3.838	3.838	6.2821	90.0	90.0	120.0
oqmd-22507	box	-4.6295	-4.6295	3.8436	6.6409	6.2794	90.0	90.0	90.0
oqmd-717362	box	-4.5906	-4.5906	14.6222	14.6222	14.6222	90.0	90.0	90.0
mp-1203790	box	-4.5875	-4.5875	10.3303	10.3303	16.9151	90.0	90.0	120.0
oqmd-717360	static	-4.5721	-4.5721	10.1514	10.1514	10.1514	90.0	90.0	90.0
oqmd-717360	box	-4.572	-4.572	10.15	10.15	10.15	90.0	90.0	90.0
mp-971662	box	-4.572	-4.572	10.1497	10.1497	10.1497	90.0	90.0	90.0
mp-1196961	box	-4.5571	-4.5571	10.3289	10.1268	17.5451	90.0	90.0	90.0
mp-1204627	dynamic	-4.5338	-4.5338	16.7187	12.7666	9.9443	90.0	90.0	90.0
mp-1204627	box	-4.5325	-4.5325	16.7189	12.7862	9.9465	90.0	90.0	90.0
oqmd-22407	dynamic	-4.4996	-4.4996	6.6201	6.6201	3.8861	90.0	90.0	90.0
oqmd-22408	dynamic	-4.4982	-4.4982	13.8171	3.8852	6.3242	90.0	96.8	90.0
mp-1079297	box	-4.495	-4.495	13.8248	3.8664	6.3541	90.0	96.5	90.0
oqmd-22407	box	-4.495	-4.495	6.6703	6.6703	3.8422	90.0	90.0	90.0
oqmd-22408	box	-4.4949	-4.4949	13.8295	3.8641	6.3551	90.0	96.5	90.0
mp-999200	box	-4.4949	-4.4949	6.6709	6.6709	3.8417	90.0	90.0	90.0
mp-1199894	dynamic	-4.4888	-4.4888	25.3844	15.0784	9.8838	90.0	93.9	90.0
mp-1200830	dynamic	-4.4874	-4.4874	12.4268	12.4268	12.4268	90.0	90.0	90.0
mp-1201492	dynamic	-4.4872	-4.4872	17.5455	17.5455	17.5455	90.0	90.0	90.0
mp-1199894	box	-4.4855	-4.4855	25.3879	15.1427	9.8617	90.0	94.0	90.0
mp-1201492	box	-4.4853	-4.4853	17.5588	17.5588	17.5588	90.0	90.0	90.0
mp-1200830	box	-4.4848	-4.4848	12.4349	12.4349	12.4349	90.0	90.0	90.0
mp-971661	box	-4.4632	-4.4632	10.0864	10.0864	10.0864	90.0	90.0	90.0
mp-1202745	box	-4.4565	-4.4565	9.9521	9.9521	16.0924	90.0	90.0	120.0
mp-1095269	box	-4.4285	-4.4285	3.8687	10.7669	12.6672	90.0	90.0	90.0
mp-1204046	dynamic	-4.3902	-4.3902	10.2673	10.2673	24.3345	90.0	90.0	90.0
oqmd-3484	dynamic	-4.3843	-4.3843	6.6444	6.6444	6.6444	90.0	90.0	90.0
oqmd-3484	box	-4.3836	-4.3836	6.6379	6.6379	6.6379	90.0	90.0	90.0
mp-168	box	-4.3834	-4.3834	6.637	6.637	6.637	90.0	90.0	90.0
mp-1204046	box	-4.3359	-4.3359	10.131	10.131	24.293	90.0	90.0	90.0
Ah--alpha-Po--sc	static	-4.2915	-4.2915	2.4998	2.4998	2.4998	90.0	90.0	90.0
mp-1072544	dynamic	-4.2824	-4.2824	6.7417	6.7417	6.7417	90.0	90.0	90.0
mp-571520	box	-4.2597	-4.2597	9.5237	9.5237	5.5932	90.0	90.0	120.0
oqmd-18985	box	-4.2591	-4.2591	9.522	9.522	5.579	90.0	90.0	120.0
oqmd-717361	static	-4.2076	-4.2076	7.6038	7.6038	7.6038	90.0	90.0	90.0
oqmd-717361	box	-4.149	-4.149	7.6261	7.6261	7.6261	90.0	90.0	90.0
mp-16220	dynamic	-4.1086	-4.1086	14.689	14.689	14.689	90.0	90.0	90.0
mp-1244971	dynamic	-4.078	-4.078	12.2307	13.0879	14.3452	96.6	98.6	98.5
A5--beta-Sn	static	-4.0749	-4.0749	4.5745	4.5745	2.5	90.0	90.0	90.0
mp-1245242	dynamic	-4.071	-4.071	13.0263	13.2768	13.6966	79.4	78.8	79.6
mp-1245041	dynamic	-4.0276	-4.0276	13.6377	13.7616	13.8804	76.8	75.0	71.4
mp-1245041	static	-3.9924	-3.9924	12.8562	12.9374	12.9657	71.0	73.7	76.5
mp-1244933	dynamic	-3.9842	-3.9842	13.3582	13.5819	13.6751	76.9	74.8	77.3
mp-1245041	box	-3.9647	-3.9647	12.8019	12.8726	12.9337	71.2	73.8	76.4
mp-1244990	dynamic	-3.9447	-3.9447	13.0042	13.3411	14.5204	100.3	103.3	102.5
mp-1244971	static	-3.935	-3.935	11.7322	12.6572	13.4492	97.6	97.1	99.6
mp-1244971	box	-3.9212	-3.9212	11.7128	12.646	13.4349	97.7	97.1	99.6
mp-1245242	static	-3.9141	-3.9141	12.3392	12.5867	12.7183	78.9	81.1	82.3
oqmd-1215995	static	-3.9114	-3.9114	3.9908	3.9908	7.4613	90.0	90.0	120.0
mp-1245242	box	-3.9061	-3.9061	12.3316	12.5807	12.7059	79.0	81.1	82.3
A2--W--bcc	static	-3.8589	-3.8589	2.8866	2.8866	2.8866	90.0	90.0	90.0
mp-16220	box	-3.8586	-3.8586	14.903	14.903	14.903	90.0	90.0	90.0
oqmd-10215	box	-3.8568	-3.8568	14.8999	14.8999	14.8999	90.0	90.0	90.0
mp-1244933	static	-3.8272	-3.8272	12.2967	12.4268	12.6766	78.4	75.8	73.7
mp-1244933	box	-3.7822	-3.7822	12.2345	12.4224	12.5427	78.3	76.4	73.5
mp-1120447	static	-3.7364	-3.7364	4.8581	5.5479	6.8899	71.0	72.7	84.9
mp-1244990	static	-3.6872	-3.6872	12.0429	12.1402	12.5927	104.0	100.7	99.8
mp-1244990	box	-3.6417	-3.6417	12.0725	12.1274	12.5827	104.0	100.6	100.0
A6--In--bct	dynamic	-3.5491	-3.5491	2.4593	2.4593	3.69	90.0	90.0	90.0
mp-1120447	box	-3.4296	-3.4296	4.8622	5.6085	7.002	69.3	80.9	88.8
mp-676011	static	-3.4136	-3.4136	5.0352	5.3231	7.1016	92.6	110.1	113.9
oqmd-78173	dynamic	-3.285	-3.285	4.0564	6.88	9.2782	90.0	90.0	90.0
mp-109	dynamic	-3.285	-3.285	4.0564	6.88	9.3086	90.0	90.0	90.0
A15--beta-W	static	-3.0533	-3.0533	4.4721	4.4721	4.4721	90.0	90.0	90.0
mp-34	static	-2.3758	-2.3758	2.6495	2.6495	2.3416	90.0	90.0	120.0
oqmd-18984	static	-2.3758	-2.3758	2.6505	2.6505	2.3416	90.0	90.0	120.0
oqmd-51152	static	-2.3758	-2.3758	2.6478	2.6478	2.3416	90.0	90.0	120.0
A1--Cu--fcc	static	-2.2699	-2.2699	3.5355	3.5355	3.5355	90.0	90.0	90.0
A15--beta-W	static	-1.7818	-1.7818	4.6833	4.6833	4.6833	90.0	90.0	90.0
mp-644693	static	-1.6294	-1.6294	3.9979	5.5063	9.1524	74.2	89.2	69.1
oqmd-78174	static	-0.6665	-0.6665	8.8261	4.8932	4.8791	90.0	90.0	90.0
oqmd-78174	dynamic	-0.6665	-0.6665	8.8262	5.1226	5.1402	90.0	90.0	90.0
mp-1079649	static	-0.6665	-0.6665	8.7504	4.9312	4.9002	90.0	90.0	90.0
A1--Cu--fcc	dynamic	0.0	0.0	3.865	3.865	3.865	90.0	90.0	90.0
Ah--alpha-Po--sc	dynamic	0.0	0.0	2.5297	2.5297	2.5297	90.0	90.0	90.0
A3--Mg--hcp	dynamic	0.0	0.0	2.6876	2.6876	4.5802	90.0	90.0	120.0
A3--Mg--hcp	dynamic	0.0	0.0	2.7025	2.7025	4.5376	90.0	90.0	120.0
A6--In--bct	dynamic	0.0	0.0	2.6593	2.6593	4.0871	90.0	90.0	90.0
oqmd-1216087	dynamic	0.0	0.0	2.6942	2.6942	20.5604	90.0	90.0	120.0
A1--Cu--fcc	dynamic	0.0	0.0	3.8649	3.8649	3.8649	90.0	90.0	90.0
A2--W--bcc	dynamic	0.0	0.0	3.0778	3.0778	3.0778	90.0	90.0	90.0
oqmd-1214659	dynamic	0.0	0.0	3.5591	3.5591	4.4447	90.0	90.0	120.0
mp-1120747	dynamic	0.0	0.0	5.0924	5.0924	4.4191	90.0	90.0	120.0
A2--W--bcc	dynamic	0.0	0.0	2.9677	2.9677	2.9677	90.0	90.0	90.0
A3'--alpha-La--double-hcp	dynamic	0.0	0.0	2.7598	2.7598	8.7152	90.0	90.0	120.0
oqmd-691764	dynamic	0.0	0.0	2.67	2.67	7.0705	90.0	90.0	120.0
mp-1001113	dynamic	0.0	0.0	3.9918	9.4333	3.2624	90.0	90.0	90.0
Ah--alpha-Po--sc	dynamic	0.0	0.0	2.7608	2.7608	2.7608	90.0	90.0	90.0
A6--In--bct	dynamic	0.0	0.0	3.3534	3.3534	2.5753	90.0	90.0	90.0
A3--Mg--hcp	dynamic	0.0	0.0	2.6959	2.6959	4.557	90.0	90.0	120.0
A7--alpha-As	dynamic	0.0	0.0	3.5708	3.5708	8.7924	90.0	90.0	120.0
A2--W--bcc	dynamic	0.0	0.0	3.0782	3.0782	3.0782	90.0	90.0	90.0
oqmd-1214926	dynamic	0.0	0.0	6.8012	6.8012	6.8012	90.0	90.0	90.0
A1--Cu--fcc	dynamic	0.0	0.0	3.8695	3.8695	3.8695	90.0	90.0	90.0
A1--Cu--fcc	box	0.0	0.0	3.5355	3.5355	3.5355	90.0	90.0	90.0
mp-1094057	dynamic	0.0	0.0	2.6862	2.6862	20.6131	90.0	90.0	120.0

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:

524.255	256.368	256.368	-0.0	-0.0	0.0
256.368	524.255	256.368	-0.0	-0.0	0.0
256.368	256.368	524.255	0.0	0.0	0.0
0.0	0.0	0.0	199.219	0.0	0.0
0.0	0.0	0.0	-0.0	199.219	0.0
0.0	0.0	0.0	0.0	0.0	199.219

-149830850.278	1473820757.276	1473820757.894	0.027	-0.11	0.107
1473820757.897	-149830850.279	1473820757.276	0.135	-0.012	0.01
1473820757.279	1473820757.892	-149830850.279	0.022	0.057	0.026
1394999080.584	1439234047.035	1439234008.602	-1921637703.461	-0.0	0.0
1439234047.035	1394999080.584	1439234008.602	-0.0	-1921637703.461	-0.0
1439234047.035	1439234008.602	1394999080.584	-0.0	-0.0	-1921637703.461

27.0	-67.014	-67.014	0.0	0.0	-0.0
-67.014	27.0	-67.014	0.0	-0.0	-0.0
-67.014	-67.014	27.0	-0.0	0.0	-0.0
-1394999080.584	-1439234047.035	-1439234008.602	-1921637703.461	0.0	-0.0
-1439234047.035	-1394999080.584	-1439234008.602	0.0	-1921637703.461	0.0
-1439234047.035	-1439234008.602	-1394999080.584	0.0	0.0	-1921637703.461

-14983044.145	147382050.392	147382050.389	0.001	-0.001	0.001
147382050.389	-14983044.145	147382050.392	0.001	0.0	0.001
147382050.392	147382050.389	-14983044.145	0.0	0.001	0.001
139499899.061	143923405.447	143923367.014	-192163738.493	-0.0	0.0
143923405.447	139499899.061	143923367.014	-0.0	-192163738.493	0.0
143923405.447	143923367.014	139499899.061	0.0	-0.0	-192163738.493

26.999	-67.014	-67.014	0.0	0.0	-0.0
-67.014	26.999	-67.014	0.0	0.0	-0.0
-67.014	-67.014	26.999	0.0	0.0	-0.0
-139499899.061	-143923405.447	-143923367.014	-192163738.493	0.0	-0.0
-143923405.447	-139499899.061	-143923367.014	0.0	-192163738.493	0.0
-143923405.447	-143923367.014	-139499899.061	0.0	0.0	-192163738.493

-1498263.563	14738179.715	14738179.715	0.0	-0.0	0.0
14738179.715	-1498263.563	14738179.715	0.0	0.0	-0.0
14738179.715	14738179.715	-1498263.563	-0.0	0.0	0.0
13949980.908	14392341.289	14392302.856	-19216341.996	-0.0	-0.0
14392341.289	13949980.908	14392302.856	-0.0	-19216341.996	0.0
14392341.289	14392302.856	13949980.908	0.0	-0.0	-19216341.996

524.257	256.369	256.369	-0.0	-0.0	-0.0
256.369	524.257	256.369	0.0	0.0	0.0
256.369	256.369	524.257	0.0	0.0	-0.0
-0.0	0.0	0.001	199.219	0.0	0.0
0.0	-0.0	0.001	-0.0	199.219	0.0
0.0	0.001	-0.0	0.0	0.0	199.219

524.254	256.367	256.367	-0.0	-0.0	-0.0
256.367	524.254	256.367	-0.0	-0.0	-0.0
256.367	256.367	524.254	-0.0	-0.0	-0.0
0.0	-0.0	-0.001	199.219	-0.0	0.0
-0.0	0.0	-0.001	0.0	199.219	-0.0
-0.0	-0.001	0.0	-0.0	-0.0	199.219

577.099	153.402	153.402	-0.0	0.0	-0.0
153.402	577.099	153.402	-0.0	0.0	-0.0
153.402	153.402	577.099	0.0	-0.0	-0.0
0.0	0.0	0.0	94.972	-0.0	-0.0
0.0	0.0	-0.0	-0.0	94.972	0.0
0.0	-0.0	0.0	0.0	0.0	94.972

580.339	151.782	151.782	0.0	-0.0	0.0
151.782	580.339	151.782	0.0	0.0	0.0
151.782	151.782	580.339	-0.0	0.0	0.0
-0.0	-0.0	-0.0	94.972	0.0	-0.0
-0.0	-0.0	-0.0	0.0	94.972	0.0
-0.0	0.0	-0.0	-0.0	-0.0	94.972

580.34	151.782	151.782	-0.0	0.0	-0.0
151.782	580.34	151.782	0.0	-0.0	0.0
151.782	151.782	580.34	-0.0	0.0	-0.0
0.0	0.0	0.0	94.972	-0.0	-0.0
0.0	0.0	0.0	0.0	94.972	-0.0
0.0	0.0	0.0	0.0	0.0	94.972

577.102	153.403	153.403	-0.0	0.0	-0.0
153.403	577.102	153.403	0.0	0.0	-0.0
153.403	153.403	577.102	-0.0	0.0	0.0
0.0	0.0	0.0	75.633	0.0	0.0
0.0	0.0	0.0	0.0	75.633	0.0
0.0	0.0	0.0	-0.0	0.0	75.633

577.097	153.401	153.401	0.0	0.0	0.0
153.401	577.097	153.401	0.0	-0.0	0.0
153.401	153.401	577.097	-0.0	-0.0	0.0
-0.0	-0.0	-0.0	75.633	-0.0	0.0
-0.0	-0.0	-0.0	-0.0	75.633	0.0
-0.0	-0.0	-0.0	0.0	0.0	75.633

320.5	274.253	274.253	0.0	0.0	-0.0
274.253	320.5	274.253	0.0	0.0	0.0
274.253	274.253	320.5	0.0	0.0	-0.0
0.0	-0.0	-0.0	212.541	-0.0	-0.0
0.0	-0.0	0.0	0.0	212.541	0.0
0.0	-0.0	0.0	0.0	0.0	212.541

320.501	274.253	274.253	0.0	0.0	0.0
274.253	320.501	274.253	0.0	0.0	-0.0
274.253	274.253	320.501	0.0	0.0	-0.0
0.0	0.0	0.0	212.541	0.0	0.0
0.0	0.0	0.0	0.0	212.541	0.0
0.0	0.0	0.0	0.0	0.0	212.541

320.499	274.252	274.252	-0.0	-0.0	-0.0
274.252	320.499	274.252	-0.0	-0.0	0.0
274.252	274.252	320.499	-0.0	-0.0	-0.0
-0.0	-0.0	-0.0	212.541	0.0	-0.0
-0.0	-0.0	-0.0	-0.0	212.541	-0.0
-0.0	-0.0	-0.0	-0.0	-0.0	212.541

-1770338458.622	3615592023.646	3615592023.646	-0.0	-0.0	-0.0
3615592023.646	-1770338458.622	3615592023.646	-0.0	-0.0	-0.0
3615592023.646	3615592023.646	-1770338458.622	-0.0	-0.0	-0.0
0.0	0.0	0.0	40.859	-0.0	0.0
0.0	0.0	0.0	-0.0	40.859	0.0
0.0	0.0	0.0	-0.0	-0.0	40.859

182.197	-106.903	-106.903	0.0	0.0	-0.0
-106.903	182.197	-106.903	0.0	0.0	0.0
-106.903	-106.903	182.197	0.0	0.0	-0.0
-0.0	-0.0	-0.0	40.859	0.0	0.0
-0.0	-0.0	-0.0	0.0	40.859	-0.0
-0.0	-0.0	-0.0	0.0	0.0	40.859

-177033800.39	361559201.105	361559201.105	-0.0	-0.0	-0.0
361559201.105	-177033800.39	361559201.105	-0.0	-0.0	-0.0
361559201.105	361559201.105	-177033800.39	-0.0	-0.0	-0.0
0.0	0.0	0.0	40.859	-0.0	0.0
0.0	0.0	0.0	-0.0	40.859	-0.0
0.0	0.0	0.0	-0.0	-0.0	40.859

-17703334.566	36155918.851	36155918.851	-0.0	-0.0	-0.0
36155918.851	-17703334.566	36155918.851	-0.0	-0.0	-0.0
36155918.851	36155918.851	-17703334.566	-0.0	-0.0	-0.0
0.0	0.0	0.0	40.859	-0.0	0.0
0.0	0.0	0.0	-0.0	40.859	0.0
0.0	0.0	0.0	-0.0	-0.0	40.859

182.196	-106.903	-106.903	0.0	0.0	-0.0
-106.903	182.196	-106.903	0.0	0.0	-0.0
-106.903	-106.903	182.196	0.0	0.0	-0.0
-0.0	-0.0	-0.0	40.859	0.0	-0.0
-0.0	-0.0	-0.0	0.0	40.859	-0.0
-0.0	-0.0	-0.0	0.0	0.0	40.859

586.593	237.641	212.711	0.0	0.0	-0.0
245.351	578.883	212.712	0.0	0.0	-0.0
212.711	212.712	611.278	0.0	0.0	0.0
-0.0	0.0	-0.0	151.75	0.0	0.0
-0.0	0.0	-0.0	0.0	151.75	0.0
-0.0	0.0	-0.001	0.0	-0.0	174.476

578.886	245.352	212.712	0.0	0.0	-0.0
237.642	586.595	212.712	0.0	-0.0	-0.0
212.712	212.712	611.28	0.0	0.0	-0.0
0.0	-0.0	0.0	151.75	0.0	-0.0
-0.0	0.0	0.0	0.0	151.75	-0.0
-0.0	0.001	-0.0	0.0	0.0	166.766

586.59	237.64	212.711	-0.0	0.0	0.0
237.64	586.59	212.711	-0.0	-0.0	0.0
212.711	212.711	611.276	0.0	-0.0	-0.0
-0.0	0.0	-0.0	151.75	0.0	0.0
0.0	-0.0	-0.0	-0.0	151.75	0.0
0.0	-0.001	0.0	-0.0	-0.0	166.766

663.218	241.391	231.3	0.0	-0.0	-0.0
183.443	721.165	231.3	0.0	0.0	-0.0
251.977	251.977	733.218	0.0	-0.0	0.0
0.0	0.0	-0.0	277.298	-0.0	-0.0
0.0	-0.0	0.0	-0.0	277.298	0.0
0.0	0.0	0.0	0.0	-0.001	210.913

663.22	241.391	231.301	0.0	-0.0	-0.0
241.39	663.221	231.301	0.0	-0.0	-0.0
251.978	251.978	733.221	-0.0	-0.0	-0.0
0.0	0.0	0.0	277.298	0.0	-0.0
0.0	0.0	0.0	0.0	277.298	0.0
-0.0	0.0	0.0	-0.0	-0.0	210.913

663.216	241.39	231.299	0.0	0.0	0.0
241.389	663.217	231.299	0.0	0.0	0.0
251.976	251.976	733.216	-0.0	0.0	0.0
-0.0	-0.0	-0.0	277.298	0.0	0.0
-0.0	-0.0	-0.0	-0.0	277.298	-0.0
0.0	-0.0	-0.0	0.0	0.0	210.913

1007.742	168.831	168.831	-0.0	-0.0	-0.0
168.831	1007.742	168.831	-0.0	-0.0	0.0
168.831	168.831	1007.741	-0.0	-0.0	-0.0
-0.0	0.0	0.0	462.45	-0.0	0.0
-0.0	0.0	-0.0	-0.0	462.45	0.0
-0.0	-0.0	-0.0	-0.0	-0.0	462.45

1007.743	168.832	168.832	-0.0	-0.0	-0.0
168.832	1007.743	168.832	-0.0	-0.0	0.0
168.832	168.832	1007.743	-0.0	-0.0	-0.0
0.0	-0.0	0.0	462.45	-0.0	0.0
-0.0	0.0	0.0	-0.0	462.45	-0.0
-0.0	0.0	0.0	-0.0	-0.0	462.45

1007.74	168.83	168.83	0.0	0.0	0.0
168.83	1007.74	168.83	0.0	0.0	-0.0
168.83	168.83	1007.74	0.0	0.0	0.0
-0.0	0.0	-0.0	462.45	0.0	-0.0
0.0	-0.0	-0.0	0.0	462.45	0.0
0.0	-0.0	-0.0	0.0	0.0	462.45

119.385	637.001	99.436	-0.0	0.0	0.0
637.0	119.385	99.436	0.0	0.0	-0.0
99.435	99.435	767.264	-0.0	0.0	-0.0
0.0	0.0	-0.0	-2.165	0.0	0.0
0.0	-0.0	0.0	0.0	-2.165	-0.0
-0.0	-0.0	0.0	0.0	0.0	130.023

119.386	637.0	99.435	-0.0	-0.0	0.0
637.0	119.386	99.435	-0.0	-0.0	0.0
99.435	99.435	767.264	0.0	-0.0	0.0
0.0	-0.0	0.0	-2.165	-0.0	0.0
-0.0	0.0	0.0	-0.0	-2.165	0.0
0.0	0.0	-0.0	-0.0	-0.0	130.023

119.381	637.004	99.438	0.0	0.0	-0.0
637.004	119.381	99.438	0.0	0.0	-0.0
99.436	99.436	767.268	-0.0	0.0	-0.0
-0.0	0.0	-0.0	-2.165	0.0	-0.0
0.0	-0.0	-0.0	0.0	-2.165	-0.0
-0.0	0.0	0.0	-0.0	0.0	130.023

119.389	636.997	99.433	-0.0	-0.0	-0.0
636.997	119.389	99.433	-0.0	-0.0	0.0
99.435	99.435	767.26	-0.0	-0.0	0.0
0.0	-0.0	0.0	-2.165	-0.0	-0.0
-0.0	0.0	0.0	-0.0	-2.165	0.0
0.0	-0.0	-0.0	-0.0	-0.0	130.023

843258019.286	2693065442.171	1903497786.714	-0.0	-0.0	-0.0
2693065442.171	843258019.286	1903497786.714	0.0	-0.0	-0.0
4345380590.209	4345380590.209	3268172684.195	-0.0	-0.0	-0.0
1599341173.875	1621271040.169	1175638538.08	-2275622771.434	0.0	-0.0
1621271040.169	1599341173.875	1175638538.081	0.0	-2275622771.434	-0.0
0.0	0.0	0.0	0.0	-0.0	170.208

107.132	-83.49	-59.154	-0.0	0.0	0.0
-83.49	107.132	-59.154	-0.0	0.0	0.0
-53.707	-53.708	7.976	-0.0	0.0	0.0
-1599341173.875	-1621271040.169	-1175638538.081	-2275622771.433	-0.0	0.0
-1621271040.169	-1599341173.875	-1175638538.08	-0.0	-2275622771.433	0.0
-0.0	-0.0	-0.0	-0.0	-0.0	170.208