× 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.

2005--Erhart-P-Albe-K--Si-C-II

Citation: P. Erhart, and K. Albe (2005), "Analytical potential for atomistic simulations of silicon, carbon, and silicon carbide", Physical Review B, 71(3), 035211. DOI: 10.1103/physrevb.71.035211.

Abstract: We present an analytical bond-order potential for silicon, carbon, and silicon carbide that has been optimized by a systematic fitting scheme. The functional form is adopted from a preceding work [Phys. Rev. B 65, 195124 (2002)] and is built on three independently fitted potentials for Si-Si, C-C, and Si-C interaction. For elemental silicon and carbon, the potential perfectly reproduces elastic properties and agrees very well with first-principles results for high-pressure phases. The formation enthalpies of point defects are reasonably reproduced. In the case of silicon stuctural features of the melt agree nicely with data taken from literature. For silicon carbide the dimer as well as the solid phases B1, B2, and B3 were considered. Again, elastic properties are very well reproduced including internal relaxations under shear. Comparison with first-principles data on point defect formation enthalpies shows fair agreement. The successful validation of the potentials for configurations ranging from the molecular to the bulk regime indicates the transferability of the potential model and makes it a good choice for atomistic simulations that sample a large configuration space.

Notes: This entry uses the paper's Si-II interaction, which gives better elastic and thermal properties for elemental silicon.

LAMMPS pair_style tersoff (2005--Erhart-P--Si-C-II--LAMMPS--ipr1)

See Computed Properties
Notes: This file was created and verified by Lucas Hale. The parameter values are identical to the ones in the parameter file used by openKIM model MO_408791041969_001.
File(s):

2005_SiC_II.tersoff

OpenKIM (MO_408791041969)

See Computed Properties
Notes: Listing found at https://openkim.org. This KIM potential is based on a parameter file with identical parameter values as 2005--Erhart-P--Si-C-II--LAMMPS--ipr1.
Link(s):

KIM page Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_002
DOI 10.25950/9edfb96b

Implementation Information

This page displays computed properties for the 2005--Erhart-P--Si-C-II--LAMMPS--ipr1 implementation of the 2005--Erhart-P-Albe-K--Si-C-II potential. Computed values for other implementations can be seen by clicking on the links below:

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

2005--Erhart-P--Si-C-II--LAMMPS--ipr1/diatom

Click on plot to load interactive version

2005--Erhart-P--Si-C-II--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

2005--Erhart-P--Si-C-II--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)
mp-632329	static	-7.374	-7.374	4.4257	2.5552	3.1585	90.0	94.0	90.0
oqmd-637444	dynamic	-7.374	-7.374	4.1726	4.1726	4.1726	90.0	90.0	90.0
mp-568286	dynamic	-7.374	-7.374	4.4257	2.5552	8.0283	90.0	90.0	90.0
mp-632329	dynamic	-7.374	-7.374	4.4257	2.5552	3.1606	90.0	93.8	90.0
mp-1040425	dynamic	-7.374	-7.374	2.5552	2.5552	19.9983	90.0	90.0	120.0
mp-568363	static	-7.374	-7.374	4.4257	2.5552	8.1499	90.0	90.0	90.0
mp-568363	dynamic	-7.374	-7.374	2.5552	4.4257	8.1499	90.0	90.0	90.0
A7--alpha-As	dynamic	-7.374	-7.374	2.5552	2.5552	10.2131	90.0	90.0	120.0
mp-937760	dynamic	-7.374	-7.374	2.5552	4.4257	7.98	90.0	90.0	90.0
mp-568806	dynamic	-7.374	-7.374	2.5552	2.5552	3.83	90.0	90.0	120.0
oqmd-1214690	dynamic	-7.374	-7.374	2.5552	4.4257	6.6767	90.0	90.0	90.0
oqmd-590101	dynamic	-7.374	-7.374	2.5552	2.5552	6.7965	90.0	90.0	120.0
mp-997182	static	-7.374	-7.374	2.5552	2.5552	14.9976	90.0	90.0	120.0
mp-611426	static	-7.3732	-7.3732	2.5213	2.5213	8.2347	90.0	90.0	120.0
mp-569517	dynamic	-7.3732	-7.3732	2.5213	2.5213	30.88	90.0	90.0	120.0
oqmd-599492	dynamic	-7.3732	-7.3732	2.5213	2.5213	16.4694	90.0	90.0	120.0
A4--C--dc	dynamic	-7.3732	-7.3732	3.5657	3.5657	3.5657	90.0	90.0	90.0
oqmd-599489	box	-7.3731	-7.3731	2.521	2.521	4.1186	90.0	90.0	120.0
mp-47	box	-7.3731	-7.3731	2.5209	2.5209	4.1187	90.0	90.0	120.0
mp-616440	box	-7.3726	-7.3726	2.5214	2.5214	16.4704	90.0	90.0	120.0
oqmd-599492	box	-7.3725	-7.3725	2.5212	2.5212	16.473	90.0	90.0	120.0
mp-611448	box	-7.3723	-7.3723	2.5213	2.5213	12.3541	90.0	90.0	120.0
oqmd-599491	box	-7.3723	-7.3723	2.5212	2.5212	12.355	90.0	90.0	120.0
mp-569567	box	-7.3722	-7.3722	2.5216	2.5216	43.2308	90.0	90.0	120.0
oqmd-599493	box	-7.3721	-7.3721	2.5213	2.5213	30.8866	90.0	90.0	120.0
mp-569517	box	-7.3721	-7.3721	2.5213	2.5213	30.8855	90.0	90.0	120.0
mp-611426	box	-7.372	-7.372	2.5212	2.5212	8.2369	90.0	90.0	120.0
oqmd-599490	box	-7.3718	-7.3718	2.5213	2.5213	8.2369	90.0	90.0	120.0
mp-1008374	box	-7.2104	-7.2104	2.4962	8.0817	2.5551	90.0	90.0	90.0
mp-1078845	box	-7.0936	-7.0936	4.2245	8.8136	2.535	90.0	90.0	90.0
oqmd-637443	box	-7.092	-7.092	5.2697	5.2697	5.2697	90.0	90.0	90.0
mp-1188817	box	-7.0919	-7.0919	5.2694	5.2694	5.2694	90.0	90.0	90.0
oqmd-610557	box	-7.0127	-7.0127	4.8769	5.3068	4.5181	90.0	90.0	90.0
oqmd-610556	box	-7.0119	-7.0119	4.8742	5.3151	4.5182	90.0	90.0	90.0
mp-568410	box	-7.0091	-7.0091	4.8665	5.3378	4.5185	90.0	90.0	90.0
mp-683919	dynamic	-6.9743	-6.9743	10.1138	17.4158	18.2474	90.0	90.0	90.0
oqmd-689315	dynamic	-6.9743	-6.9743	9.9935	17.3043	18.2474	90.0	90.0	90.0
mp-683919	box	-6.9554	-6.9554	10.522	18.0501	18.618	90.0	90.0	90.0
oqmd-689315	box	-6.9272	-6.9272	10.4666	18.0792	18.6433	90.0	90.0	90.0
oqmd-637353	dynamic	-6.9272	-6.9272	4.3887	4.3887	2.5425	90.0	90.0	90.0
mp-630227	dynamic	-6.9212	-6.9212	9.1682	9.2176	15.192	90.0	90.0	90.0
oqmd-595714	dynamic	-6.9212	-6.9212	9.1682	9.2176	14.442	90.0	90.0	90.0
oqmd-684627	dynamic	-6.9211	-6.9211	9.1931	9.1931	15.0422	90.0	90.0	90.0
oqmd-614417	dynamic	-6.9195	-6.9195	9.223	9.223	23.92	90.0	90.0	120.0
mp-680372	dynamic	-6.9195	-6.9195	9.223	9.223	24.7416	90.0	90.0	120.0
mp-1147718	dynamic	-6.9188	-6.9188	10.2158	14.6693	9.205	90.0	90.0	90.0
oqmd-684315	dynamic	-6.9188	-6.9188	9.9097	14.8827	9.205	90.0	90.0	90.0
mp-667273	dynamic	-6.917	-6.917	14.038	14.038	14.038	90.0	90.0	90.0
oqmd-677227	dynamic	-6.917	-6.917	14.0552	14.0552	14.0552	90.0	90.0	90.0
mp-1196583	dynamic	-6.917	-6.917	14.3104	14.3104	14.3104	90.0	90.0	90.0
oqmd-603085	dynamic	-6.917	-6.917	13.8463	13.8463	13.8463	90.0	90.0	90.0
mp-1196583	static	-6.917	-6.917	14.8518	14.8518	14.8518	90.0	90.0	90.0
oqmd-677227	static	-6.917	-6.917	14.6217	14.6217	14.6217	90.0	90.0	90.0
mp-667273	static	-6.917	-6.917	14.5767	14.5767	14.5767	90.0	90.0	90.0
oqmd-637353	box	-6.9136	-6.9136	4.3974	4.3974	2.5362	90.0	90.0	90.0
mp-1196583	box	-6.9105	-6.9105	14.8546	14.8546	14.8546	90.0	90.0	90.0
oqmd-603085	box	-6.9105	-6.9105	14.4249	14.4249	14.4249	90.0	90.0	90.0
mp-667273	box	-6.9083	-6.9083	14.5808	14.5808	14.5808	90.0	90.0	90.0
oqmd-637352	box	-6.905	-6.905	9.1956	2.553	4.1729	90.0	97.0	90.0
mp-1080826	box	-6.9046	-6.9046	9.1935	2.553	4.1738	90.0	97.0	90.0
mp-568028	dynamic	-6.9035	-6.9035	8.179	14.088	9.518	90.0	90.0	90.0
oqmd-637130	box	-6.9033	-6.9033	9.1047	2.5531	4.1728	90.0	90.0	90.0
mp-1205283	dynamic	-6.9031	-6.9031	9.6934	13.4561	9.3696	90.0	90.0	90.0
mp-1190171	box	-6.9017	-6.9017	9.103	2.5531	4.1731	90.0	90.0	90.0
oqmd-677227	box	-6.8968	-6.8968	14.6344	14.6344	14.6344	90.0	90.0	90.0
mp-1147718	box	-6.8941	-6.8941	10.5892	15.2127	9.5104	90.0	90.0	90.0
oqmd-595714	box	-6.8901	-6.8901	9.372	9.4499	15.0535	90.0	90.0	90.0
mp-630227	box	-6.883	-6.883	9.4404	9.4674	15.7945	90.0	90.0	90.0
oqmd-614417	box	-6.8689	-6.8689	9.454	9.454	25.0137	90.0	90.0	120.0
mp-680372	box	-6.8647	-6.8647	9.469	9.469	25.7663	90.0	90.0	120.0
mp-624889	box	-6.8538	-6.8538	4.8843	5.2963	5.8256	90.0	90.0	90.0
oqmd-684627	box	-6.8499	-6.8499	9.4231	9.4231	15.7916	90.0	90.0	90.0
oqmd-610552	box	-6.7468	-6.7468	4.797	5.641	6.5673	90.0	90.0	90.0
mp-579909	box	-6.7379	-6.7379	4.7943	5.6546	6.9652	90.0	90.0	90.0
mp-568028	box	-6.7291	-6.7291	8.6916	14.5631	9.8729	90.0	90.0	90.0
mp-1244913	dynamic	-6.6792	-6.6792	9.446	10.1561	10.7876	92.4	94.3	96.9
mp-1245190	dynamic	-6.647	-6.647	9.6631	9.8912	10.707	89.1	89.6	89.9
mp-1244964	dynamic	-6.5886	-6.5886	9.6206	10.0526	10.8991	89.7	85.0	89.9
mp-24	box	-6.5849	-6.5849	4.4511	4.4511	4.4511	90.0	90.0	90.0
mp-1203645	dynamic	-6.3913	-6.3913	10.3051	4.9184	16.6024	90.0	111.1	90.0
mp-1205283	box	-6.312	-6.312	10.4742	13.7079	9.4074	90.0	90.0	90.0
mp-1197903	dynamic	-5.8026	-5.8026	7.5814	9.1898	23.4354	97.9	96.9	104.8
oqmd-585286	box	-5.735	-5.735	5.0384	5.0384	5.0384	90.0	90.0	90.0
mp-570002	box	-5.7343	-5.7343	5.0386	5.0386	5.0386	90.0	90.0	90.0
mp-1245190	box	-5.6957	-5.6957	10.7818	11.2704	11.377	89.3	90.0	87.9
oqmd-684315	box	-5.5849	-5.5849	10.8261	15.7607	9.3418	90.0	90.0	90.0
mp-1244964	box	-5.4866	-5.4866	10.8766	11.0772	11.7676	90.3	94.9	92.8
mp-1244913	box	-5.1576	-5.1576	11.3978	11.4977	11.8953	90.3	96.1	92.5
mp-1095534	box	-4.7271	-4.7271	10.7646	10.7646	2.4902	90.0	90.0	90.0
A7--alpha-As	box	-4.4148	-4.4148	2.8624	2.8624	6.2728	90.0	90.0	120.0
mp-1205417	box	-4.2097	-4.2097	13.3974	13.3974	7.764	90.0	90.0	90.0
A5--beta-Sn	dynamic	-4.0808	-4.0808	3.4249	3.4249	1.8066	90.0	90.0	90.0
Ah--alpha-Po--sc	dynamic	-4.0773	-4.0773	1.7825	1.7825	1.7825	90.0	90.0	90.0
A3'--alpha-La--double-hcp	box	-4.0726	-4.0726	2.4887	2.4887	4.2894	90.0	90.0	120.0
oqmd-1216026	static	-3.9997	-3.9997	2.3903	2.3903	9.1654	90.0	93.2	90.0
A6--In--bct	static	-3.9997	-3.9997	1.6902	1.6902	3.5744	90.0	90.0	90.0
A6--In--bct	static	-3.9997	-3.9997	1.6902	1.6902	6.2432	90.0	90.0	90.0
A6--In--bct	static	-3.9997	-3.9997	1.6902	1.6902	6.3803	90.0	90.0	90.0
mp-1056957	static	-3.9997	-3.9997	2.3903	2.3903	6.399	90.0	90.0	90.0
mp-1097832	static	-3.9997	-3.9997	2.3903	2.3903	9.8799	90.0	90.0	90.0
mp-1192619	box	-3.9408	-3.9408	10.1563	10.1563	10.1563	90.0	90.0	90.0
mp-1182029	static	-3.9223	-3.9223	1.5292	3.3388	3.4306	90.0	97.5	90.0
mp-1182029	dynamic	-3.9223	-3.9223	1.5292	3.3388	3.4428	90.0	98.9	90.0
oqmd-1214779	box	-3.9005	-3.9005	9.7404	9.7404	9.7404	90.0	90.0	90.0
A2--W--bcc	dynamic	-3.4099	-3.4099	2.16	2.16	2.16	90.0	90.0	90.0
A15--beta-W	box	-3.1912	-3.1912	3.4674	3.4674	3.4674	90.0	90.0	90.0
A1--Cu--fcc	box	-2.8904	-2.8904	2.739	2.739	2.739	90.0	90.0	90.0
A3'--alpha-La--double-hcp	box	-2.8903	-2.8903	1.9367	1.9367	6.3261	90.0	90.0	120.0
A3--Mg--hcp	box	-2.8903	-2.8903	1.9366	1.9366	3.1633	90.0	90.0	120.0
A3--Mg--hcp	dynamic	-2.8738	-2.8738	1.857	1.857	4.3092	90.0	90.0	120.0
A1--Cu--fcc	dynamic	0.0	0.0	3.0645	3.0645	3.0645	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-1019097	dynamic	-6.4122	-6.4122	3.1572	3.1572	6.8704	90.0	90.0	90.0
mp-1019097	box	-6.3758	-6.3758	3.1192	3.1192	7.063	90.0	90.0	90.0
mp-1102811	dynamic	-5.7046	-5.7046	4.7161	4.7161	4.7161	90.0	90.0	90.0
mp-1102811	box	-5.5877	-5.5877	4.8035	4.8035	4.8035	90.0	90.0	90.0
C1--CaF2--fluorite	dynamic	-5.0107	-5.0107	4.7291	4.7291	4.7291	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	box	-3.8192	-3.8192	4.948	4.948	4.948	90.0	90.0	90.0
L1_2--AuCu3	dynamic	-3.6116	-3.6116	3.0888	3.0888	3.0888	90.0	90.0	90.0
A15--Cr3Si	box	-3.3796	-3.3796	4.0574	4.0574	4.0574	90.0	90.0	90.0
mp-972848	dynamic	-3.3542	-3.3542	2.6739	2.6739	12.8783	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-1179504	box	-4.4321	-4.4321	5.5223	11.8972	12.3884	69.3	86.4	86.3

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	-6.3392	-6.3392	3.0825	3.0825	218.9667	90.0	90.0	120.0
mp-11714	dynamic	-6.3392	-6.3392	3.0825	3.0825	10.0674	90.0	90.0	120.0
mp-7140	dynamic	-6.3392	-6.3392	3.0825	3.0825	5.0337	90.0	90.0	120.0
mp-567505	dynamic	-6.3392	-6.3392	3.0825	3.0825	20.1349	90.0	90.0	120.0
mp-1200848	dynamic	-6.3392	-6.3392	3.0825	3.0825	188.7645	90.0	90.0	120.0
mp-1204356	dynamic	-6.3392	-6.3392	3.0825	3.0825	143.461	90.0	90.0	120.0
mp-624397	dynamic	-6.3392	-6.3392	3.0825	3.0825	83.0564	90.0	90.0	120.0
mp-7631	dynamic	-6.3392	-6.3392	3.0825	3.0825	15.1012	90.0	90.0	120.0
mp-1200692	dynamic	-6.3392	-6.3392	3.0825	3.0825	128.3598	90.0	90.0	120.0
mp-568656	dynamic	-6.3392	-6.3392	3.0825	3.0825	25.1686	90.0	90.0	120.0
mp-568619	dynamic	-6.3392	-6.3392	3.0825	3.0825	12.5843	90.0	90.0	120.0
mp-571286	dynamic	-6.3392	-6.3392	3.0825	3.0825	90.6069	90.0	90.0	120.0
mp-571298	dynamic	-6.3392	-6.3392	3.0825	3.0825	98.1575	90.0	90.0	120.0
mp-1199063	dynamic	-6.3392	-6.3392	3.0825	3.0825	211.4162	90.0	90.0	120.0
mp-9947	dynamic	-6.3392	-6.3392	3.0825	3.0825	52.854	90.0	90.0	120.0
mp-570641	dynamic	-6.3392	-6.3392	3.0825	3.0825	60.4046	90.0	90.0	120.0
B3--ZnS--cubic-zinc-blende	dynamic	-6.3392	-6.3392	4.3593	4.3593	4.3593	90.0	90.0	90.0
mp-568696	dynamic	-6.3392	-6.3392	3.0825	3.0825	35.236	90.0	90.0	120.0
mp-570791	dynamic	-6.3392	-6.3392	3.0825	3.0825	47.8203	90.0	90.0	120.0
mp-11713	dynamic	-6.3392	-6.3392	3.0825	3.0825	37.7529	90.0	90.0	120.0
mp-567551	dynamic	-6.3392	-6.3392	3.0825	3.0825	40.2697	90.0	90.0	120.0
mp-568735	dynamic	-6.3392	-6.3392	3.0825	3.0825	45.3034	90.0	90.0	120.0
mp-570985	dynamic	-6.3392	-6.3392	3.0825	3.0825	67.9549	90.0	90.0	120.0
mp-568619	box	-6.3392	-6.3392	3.0828	3.0828	12.5818	90.0	90.0	120.0
mp-1204356	box	-6.3391	-6.3391	3.083	3.083	143.4126	90.0	90.0	120.0
mp-567505	box	-6.3391	-6.3391	3.0829	3.0829	20.1293	90.0	90.0	120.0
mp-568696	box	-6.3391	-6.3391	3.083	3.083	35.2245	90.0	90.0	120.0
mp-582034	box	-6.3391	-6.3391	3.083	3.083	52.8362	90.0	90.0	120.0
mp-9947	box	-6.3391	-6.3391	3.0832	3.0832	52.832	90.0	90.0	120.0
mp-571286	box	-6.3391	-6.3391	3.0831	3.0831	90.5706	90.0	90.0	120.0
mp-567551	box	-6.3391	-6.3391	3.0831	3.0831	40.2559	90.0	90.0	120.0
mp-1200692	box	-6.3391	-6.3391	3.0831	3.0831	128.3142	90.0	90.0	120.0
mp-7631	box	-6.3391	-6.3391	3.0831	3.0831	15.0954	90.0	90.0	120.0
mp-570985	box	-6.3391	-6.3391	3.0831	3.0831	67.9277	90.0	90.0	120.0
mp-571298	box	-6.3391	-6.3391	3.0832	3.0832	98.1129	90.0	90.0	120.0
mp-568656	box	-6.3391	-6.3391	3.0831	3.0831	25.1593	90.0	90.0	120.0
mp-7140	box	-6.3391	-6.3391	3.084	3.084	5.0289	90.0	90.0	120.0
mp-568735	box	-6.3391	-6.3391	3.0832	3.0832	45.2841	90.0	90.0	120.0
mp-11713	box	-6.3391	-6.3391	3.0834	3.0834	37.7323	90.0	90.0	120.0
mp-570791	box	-6.3391	-6.3391	3.0833	3.0833	47.7959	90.0	90.0	120.0
mp-11714	box	-6.3391	-6.3391	3.0834	3.0834	10.0618	90.0	90.0	120.0
mp-570804	box	-6.339	-6.339	3.0839	3.0839	98.0672	90.0	90.0	120.0
mp-570641	box	-6.339	-6.339	3.0841	3.0841	60.3424	90.0	90.0	120.0
mp-1200168	box	-6.339	-6.339	3.0843	3.0843	218.7121	90.0	90.0	120.0
mp-1197730	box	-6.339	-6.339	3.0834	3.0834	128.2871	90.0	90.0	120.0
mp-624397	box	-6.3389	-6.3389	3.0844	3.0844	82.9548	90.0	90.0	120.0
mp-570690	box	-6.3389	-6.3389	3.0845	3.0845	67.8676	90.0	90.0	120.0
mp-1200848	box	-6.3387	-6.3387	3.0844	3.0844	188.5358	90.0	90.0	120.0
B1--NaCl--rock-salt	box	-4.4066	-4.4066	4.3023	4.3023	4.3023	90.0	90.0	90.0
B2--CsCl	box	-2.9494	-2.9494	2.6894	2.6894	2.6894	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	box	-3.4116	-3.4116	5.274	5.274	5.274	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	dynamic	-3.1013	-3.1013	6.0115	6.0115	6.0115	90.0	90.0	90.0
L1_2--AuCu3	dynamic	-2.999	-2.999	3.7782	3.7782	3.7782	90.0	90.0	90.0
A15--Cr3Si	box	-2.6208	-2.6208	4.6223	4.6223	4.6223	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	-4.6243	-4.6243	5.4294	5.4294	5.4294	90.0	90.0	90.0
mp-165	box	-4.6242	-4.6242	3.836	3.836	6.2797	90.0	90.0	120.0
oqmd-5764	box	-4.6242	-4.6242	3.8359	3.8359	6.28	90.0	90.0	120.0
oqmd-22507	box	-4.6242	-4.6242	3.8411	6.638	6.277	90.0	90.0	90.0
oqmd-717362	box	-4.5759	-4.5759	14.619	14.619	14.619	90.0	90.0	90.0
mp-1203790	dynamic	-4.5733	-4.5733	10.3273	10.3273	16.9319	90.0	90.0	120.0
mp-1203790	box	-4.5726	-4.5726	10.3241	10.3241	16.9247	90.0	90.0	120.0
oqmd-717360	dynamic	-4.5621	-4.5621	10.1513	10.1513	10.1513	90.0	90.0	90.0
oqmd-717360	box	-4.5613	-4.5613	10.1463	10.1463	10.1463	90.0	90.0	90.0
mp-971662	box	-4.5612	-4.5612	10.146	10.146	10.146	90.0	90.0	90.0
mp-1196961	box	-4.5471	-4.5471	10.2795	10.1456	17.5779	90.0	90.0	90.0
mp-1204627	dynamic	-4.508	-4.508	16.6247	12.814	9.9852	90.0	90.0	90.0
mp-1204627	box	-4.507	-4.507	16.6737	12.8011	9.9661	90.0	90.0	90.0
oqmd-22408	dynamic	-4.4632	-4.4632	13.8367	3.8616	6.3508	90.0	96.5	90.0
oqmd-22408	box	-4.46	-4.46	13.829	3.8524	6.3794	90.0	96.4	90.0
mp-1079297	box	-4.4599	-4.4599	13.8236	3.8547	6.3793	90.0	96.5	90.0
mp-1199894	dynamic	-4.4508	-4.4508	25.4266	15.0015	9.9705	90.0	94.1	90.0
mp-999200	dynamic	-4.4453	-4.4453	6.5814	6.5814	3.9382	90.0	90.0	90.0
mp-1199894	box	-4.4438	-4.4438	25.4008	15.1023	9.9011	90.0	94.1	90.0
mp-1201492	dynamic	-4.4437	-4.4437	17.5559	17.5559	17.5559	90.0	90.0	90.0
mp-1201492	box	-4.4414	-4.4414	17.5709	17.5709	17.5709	90.0	90.0	90.0
oqmd-22407	box	-4.4405	-4.4405	6.6301	6.6301	3.8981	90.0	90.0	90.0
mp-999200	box	-4.4403	-4.4403	6.6307	6.6307	3.8976	90.0	90.0	90.0
mp-1200830	dynamic	-4.4372	-4.4372	12.4366	12.4366	12.4366	90.0	90.0	90.0
mp-1200830	box	-4.4349	-4.4349	12.4458	12.4458	12.4458	90.0	90.0	90.0
mp-1202745	box	-4.4122	-4.4122	9.9909	9.9909	16.004	90.0	90.0	120.0
mp-971661	box	-4.3983	-4.3983	10.1001	10.1001	10.1001	90.0	90.0	90.0
mp-1095269	box	-4.3969	-4.3969	3.8391	10.8901	12.6128	90.0	90.0	90.0
mp-1204046	dynamic	-4.3858	-4.3858	10.1146	10.1146	24.3115	90.0	90.0	90.0
mp-1204046	box	-4.3726	-4.3726	10.13	10.13	24.2324	90.0	90.0	90.0
oqmd-3484	box	-4.3662	-4.3662	6.6354	6.6354	6.6354	90.0	90.0	90.0
mp-168	box	-4.3655	-4.3655	6.6346	6.6346	6.6346	90.0	90.0	90.0
oqmd-18985	dynamic	-4.2619	-4.2619	9.6572	9.6572	5.4471	90.0	90.0	120.0
mp-571520	box	-4.2481	-4.2481	9.5594	9.5594	5.5356	90.0	90.0	120.0
oqmd-18985	box	-4.2472	-4.2472	9.5606	9.5606	5.5181	90.0	90.0	120.0
oqmd-1214748	box	-4.2383	-4.2383	4.7334	7.4377	3.8994	90.0	90.0	90.0
A2--W--bcc	dynamic	-4.1821	-4.1821	3.0651	3.0651	3.0651	90.0	90.0	90.0
oqmd-10215	dynamic	-4.1811	-4.1811	14.6808	14.6808	14.6808	90.0	90.0	90.0
mp-1245041	dynamic	-4.1764	-4.1764	12.8319	12.9126	13.0924	71.6	73.2	76.2
mp-1244971	dynamic	-4.1752	-4.1752	11.6143	12.8764	13.4859	98.0	97.3	99.6
A5--beta-Sn	dynamic	-4.173	-4.173	4.8982	4.8982	2.5728	90.0	90.0	90.0
mp-8629	box	-4.1727	-4.1727	4.8783	4.9172	2.5728	90.0	90.0	90.0
mp-1245242	dynamic	-4.1711	-4.1711	12.4652	12.7158	12.7647	79.5	80.2	82.7
oqmd-7479	box	-4.1645	-4.1645	4.8885	4.9629	2.5868	90.0	90.0	90.0
mp-1072544	static	-4.1573	-4.1573	6.7648	6.7648	6.7648	90.0	90.0	90.0
oqmd-717361	box	-4.1563	-4.1563	7.6112	7.6112	7.6112	90.0	90.0	90.0
mp-1244933	dynamic	-4.1506	-4.1506	12.3616	12.5379	12.6953	79.4	73.6	76.7
mp-1245041	box	-4.1228	-4.1228	12.8118	12.8732	13.0016	71.7	73.5	75.8
mp-1244971	box	-4.1214	-4.1214	11.7805	12.7375	13.4809	97.6	97.4	99.5
mp-1244990	dynamic	-4.1208	-4.1208	12.2312	12.2611	12.9057	102.7	102.2	98.6
mp-1245242	box	-4.1142	-4.1142	12.4854	12.6621	12.7512	79.4	81.0	82.8
mp-644693	dynamic	-4.099	-4.099	4.0752	5.6337	8.0432	101.5	91.4	107.9
oqmd-51152	static	-4.0975	-4.0975	2.6716	2.6716	2.6355	90.0	90.0	120.0
A6--In--bct	dynamic	-4.097	-4.097	3.3655	3.3655	2.7472	90.0	90.0	90.0
oqmd-691764	box	-4.0945	-4.0945	2.7497	2.7497	7.1277	90.0	90.0	120.0
mp-1244933	box	-4.0814	-4.0814	12.3752	12.6471	12.6478	79.0	77.5	73.1
Ah--alpha-Po--sc	static	-4.0799	-4.0799	2.5539	2.5539	2.5539	90.0	90.0	90.0
A7--alpha-As	box	-4.0798	-4.0798	3.6121	3.6121	8.8458	90.0	90.0	120.0
oqmd-10215	box	-4.0735	-4.0735	14.6047	14.6047	14.6047	90.0	90.0	90.0
mp-1120747	box	-4.0722	-4.0722	5.3334	5.3334	4.3673	90.0	90.0	120.0
mp-16220	box	-4.0684	-4.0684	14.5946	14.5946	14.5946	90.0	90.0	90.0
A3'--alpha-La--double-hcp	box	-4.0617	-4.0617	3.607	3.607	6.0492	90.0	90.0	120.0
mp-1268191	box	-4.0616	-4.0616	6.9227	6.9227	2.5963	90.0	90.0	120.0
mp-1244990	box	-4.0506	-4.0506	12.2735	12.3225	12.8103	102.2	103.0	99.0
mp-109	box	-4.0215	-4.0215	5.1481	5.704	8.7602	90.0	90.0	90.0
A1--Cu--fcc	dynamic	-4.0165	-4.0165	3.9438	3.9438	3.9438	90.0	90.0	90.0
A3'--alpha-La--double-hcp	dynamic	-4.0021	-4.0021	2.7822	2.7822	9.1573	90.0	90.0	120.0
A3--Mg--hcp	dynamic	-3.9889	-3.9889	2.7766	2.7766	4.6003	90.0	90.0	120.0
A15--beta-W	dynamic	-3.9707	-3.9707	4.9377	4.9377	4.9377	90.0	90.0	90.0
oqmd-1214926	box	-3.9629	-3.9629	6.7548	6.7548	6.7548	90.0	90.0	90.0
mp-1120447	box	-3.9326	-3.9326	4.7442	5.8783	7.0233	105.0	105.7	97.3
mp-1001113	box	-3.9288	-3.9288	3.5504	9.626	3.8129	90.0	90.0	90.0
oqmd-15748	box	-3.8545	-3.8545	9.0305	5.2765	5.29	90.0	90.0	90.0
oqmd-78174	box	-3.8502	-3.8502	9.1358	5.2551	5.2793	90.0	90.0	90.0
mp-1079649	box	-3.8419	-3.8419	9.3833	5.1485	5.2431	90.0	90.0	90.0
A3--Mg--hcp	box	-3.7111	-3.7111	2.977	2.977	3.9384	90.0	90.0	120.0
mp-644693	box	-2.7479	-2.7479	2.9693	6.2154	10.8359	96.3	92.4	102.6

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:

1680.048	2020.716	2020.716	-0.0	-0.0	0.0
2020.716	1680.048	2020.716	-0.0	-0.0	0.0
2020.716	2020.716	1680.048	-0.0	-0.0	-0.0
0.0	-0.0	-0.0	111.867	-0.0	0.0
0.0	-0.0	-0.0	-0.0	111.867	-0.0
0.0	-0.0	-0.0	-0.0	-0.0	111.867

4195.431	3023.291	3023.291	0.0	-0.0	-0.0
3023.291	4195.431	3023.291	0.0	0.0	-0.0
3023.291	3023.291	4195.431	0.0	0.0	0.0
-0.003	0.002	0.003	998.184	0.0	0.0
0.002	-0.003	0.003	0.0	998.184	-0.0
0.002	0.003	-0.003	0.0	0.0	998.184

4195.234	3023.377	3023.377	-0.0	0.0	0.0
3023.377	4195.234	3023.377	-0.0	-0.0	0.0
3023.377	3023.377	4195.234	-0.0	-0.0	0.0
0.003	-0.002	-0.003	998.184	0.0	-0.0
-0.002	0.003	-0.003	-0.0	998.184	0.0
-0.002	-0.003	0.003	-0.0	0.0	998.184

14889483430.476	8928493225.879	3776511972.127	25989622.739	-33574744.577	-92831844.057
1951.978	1940.264	1831.378	0.0	-0.0	0.0
1831.378	1831.378	2054.67	0.0	-0.0	0.0
-0.0	0.0	-0.0	-133.873	-0.0	0.0
-0.0	0.0	-0.0	0.0	-133.874	0.0
10701507470.515	11044661962.01	6186318821.924	-44235876.05	72920827.972	-688585984.247

-11919139493.08	-11284918772.773	-6793174915.22	30801070.124	13533284.378	419984790.718
1951.978	1940.264	1831.378	-0.0	0.0	-0.0
1831.378	1831.378	2054.67	-0.0	0.001	-0.0
-0.0	-0.0	0.0	-133.874	0.0	-0.0
0.0	-0.0	0.0	-0.0	-133.873	-0.0
-11660178323.158	-10777273993.251	-5054349746.402	-54674268.381	57066070.428	58056643.537

1555172085.048	1010469828.225	256486490.949	-2841323.222	-1672929.318	67211980.731
1173060148.964	1090212710.344	686262360.789	2912381.134	830837.102	-33001287.637
1831.377	1831.377	2054.67	-0.0	-0.0	0.0
0.0	0.0	0.0	-133.874	-0.0	0.0
0.0	0.0	0.0	0.0	-133.874	0.0
1032602355.36	1104253489.89	632167060.78	-403779.207	-1812234.844	-55094691.687

1680.051	2020.715	2020.715	-0.0	-0.0	0.0
2020.715	1680.051	2020.715	-0.0	-0.0	0.0
2020.715	2020.715	1680.051	0.0	-0.0	-0.0
-0.002	0.004	0.004	111.867	-0.0	0.0
0.004	-0.002	0.004	-0.0	111.867	0.0
0.004	0.004	-0.002	-0.0	-0.0	111.867

1680.046	2020.718	2020.718	0.0	0.0	-0.0
2020.718	1680.046	2020.718	0.0	0.0	0.0
2020.718	2020.718	1680.046	0.0	0.0	0.0
0.002	-0.004	-0.004	111.867	0.0	0.0
-0.004	0.002	-0.004	0.0	111.867	-0.0
-0.004	-0.004	0.002	0.0	0.0	111.867

4195.334	3023.334	3023.334	0.0	0.0	-0.0
3023.334	4195.334	3023.334	0.0	-0.0	-0.0
3023.334	3023.334	4195.334	0.0	-0.0	0.0
0.0	0.0	0.0	998.184	0.0	-0.0
0.0	0.0	0.0	0.0	998.184	-0.0
0.0	0.0	0.0	0.0	0.0	998.184

4195.332	3023.335	3023.335	-0.0	0.0	0.0
3023.335	4195.332	3023.335	-0.0	0.0	0.0
3023.335	3023.335	4195.332	-0.0	0.0	0.0
-0.0	-0.0	-0.0	998.184	-0.0	0.0
-0.0	-0.0	-0.0	-0.0	998.184	0.0
-0.0	-0.0	-0.0	-0.0	-0.0	998.184

4195.3	3023.351	3023.351	0.0	-0.0	0.0
3023.351	4195.3	3023.351	0.0	0.0	-0.0
3023.351	3023.351	4195.3	0.0	-0.0	-0.0
-0.0	0.0	0.0	998.184	0.0	-0.0
0.0	-0.0	0.0	0.0	998.184	-0.0
0.0	0.0	-0.0	0.0	0.0	998.184

4195.323	3023.339	3023.339	-0.0	0.0	0.0
3023.339	4195.323	3023.339	-0.0	0.0	0.0
3023.339	3023.339	4195.323	-0.0	0.0	0.0
0.0	-0.0	-0.0	998.184	0.0	0.0
-0.0	0.0	-0.0	-0.0	998.184	0.0
-0.0	-0.0	0.0	-0.0	-0.0	998.184

1075.617	871.079	871.079	0.0	0.0	-0.0
871.079	1075.617	871.079	0.0	0.0	0.0
871.079	871.079	1075.617	0.0	0.0	-0.0
-0.0	-0.0	0.0	601.992	0.0	-0.0
-0.0	-0.0	0.0	0.0	601.992	-0.0
-0.0	0.0	0.0	0.0	0.0	601.992

1075.618	871.08	871.08	-0.0	-0.0	-0.0
871.08	1075.618	871.08	-0.0	-0.0	-0.0
871.08	871.08	1075.617	-0.0	-0.0	0.0
-0.0	-0.0	-0.0	601.992	-0.0	0.0
-0.0	-0.0	-0.0	-0.0	601.992	0.0
-0.0	-0.0	-0.0	-0.0	-0.0	601.992

1075.613	871.077	871.077	0.0	0.0	-0.0
871.077	1075.613	871.077	0.0	0.0	0.0
871.077	871.077	1075.613	0.0	0.0	-0.0
0.001	0.0	0.001	601.992	0.0	-0.0
0.0	0.001	0.001	0.0	601.992	-0.0
0.0	0.001	0.001	0.0	0.0	601.992

1075.621	871.082	871.082	-0.0	-0.0	-0.0
871.082	1075.621	871.082	-0.0	-0.0	0.0
871.082	871.082	1075.621	-0.0	-0.0	0.0
-0.001	-0.0	-0.001	601.992	-0.0	0.0
-0.0	-0.001	-0.001	-0.0	601.992	-0.0
-0.0	-0.001	-0.001	-0.0	-0.0	601.992

563.912	128.297	249.919	0.0	0.0	-0.0
128.298	563.912	249.919	-0.0	-0.0	-0.0
249.919	249.919	7061.615	-0.0	-0.0	-0.0
0.0	-0.0	-0.0	306.35	-0.0	-0.0
0.0	0.0	-0.0	-0.0	306.35	-0.0
0.0	-0.0	-0.0	-0.0	-0.0	217.807

514.974	177.236	249.919	-0.0	-0.0	-0.0
128.298	563.912	249.919	-0.0	-0.0	-0.0
249.919	249.919	7061.614	-0.0	-0.0	-0.0
0.0	0.0	-0.0	306.35	0.0	-0.0
0.0	0.0	-0.0	-0.0	306.35	-0.0
-0.0	-0.0	-0.0	-0.0	-0.0	168.869

514.971	177.24	249.92	-0.0	-0.0	-0.0
177.237	514.974	249.92	-0.0	-0.0	-0.0
249.926	249.926	7061.606	-0.0	-0.0	-0.0
0.0	0.0	-0.003	306.35	-0.0	-0.0
0.0	0.0	-0.003	-0.0	306.35	-0.0
-0.0	0.0	0.0	-0.0	-0.0	168.869

514.973	177.236	249.918	0.0	0.0	0.0
177.239	514.969	249.918	0.0	0.0	0.0
249.912	249.912	7061.624	0.0	0.0	0.0
-0.0	-0.0	0.003	306.35	0.0	0.0
-0.0	-0.0	0.003	0.0	306.35	0.0
0.0	-0.0	-0.0	0.0	0.0	168.869

1737.651	741.537	0.0
741.537	1737.651	0.0
-0.0	0.0	0.0
-0.0	0.0	0.0
-0.0	0.0	0.0
-0.0	0.0	498.057

1737.651	741.536	0.0
741.537	1737.65	-0.0
-0.0	0.0	0.0
-0.0	0.0	0.0
-0.0	0.0	0.0
-0.0	0.0	498.057

1737.65	741.538	-0.0	-0.0	-0.0	-0.0
741.538	1737.651	-0.0	-0.0	-0.0	-0.0
0.0	-0.0	-0.0	-0.0	-0.0	-0.0
0.0	-0.0	-0.0	-0.0	-0.0	-0.0
0.0	-0.0	-0.0	-0.0	-0.0	-0.0
0.0	-0.001	-0.0	-0.0	-0.0	498.057

1737.654	741.526	-0.0
741.532	1737.648	0.0
-0.0	0.0	0.0
-0.0	0.0	0.0
-0.0	0.0	0.0
-0.001	0.005	498.057

1737.647	741.548	-0.0	-0.0	-0.0	-0.0
741.543	1737.653	-0.0	-0.0	-0.0	-0.0
0.0	-0.0	-0.0	-0.0	-0.0	-0.0
0.0	-0.0	-0.0	-0.0	-0.0	-0.0
0.0	-0.0	-0.0	-0.0	-0.0	-0.0
0.001	-0.005	-0.0	-0.0	-0.0	498.057

1940.263	1951.978	1831.378	-0.0	0.0	-0.0
1951.978	1940.264	1831.378	-0.0	0.0	-0.0
1831.378	1831.378	2054.67	-0.0	0.0	-0.0
-0.0	-0.0	-0.0	-133.874	0.0	-0.0
-0.0	-0.0	-0.0	-0.0	-133.874	-0.0
-1106912094.577	-1071578258.086	-595770371.511	-11610458.773	-10431342.877	-22832219.148

155264371.131	98786425.483	12278654.124	100712.965	-96272.544	6300924.742
116809268.719	108694430.209	71327858.092	263382.246	775132.778	-5496840.214
1831.376	1831.376	2054.673	0.0	-0.0	0.0
0.011	-0.009	0.005	-133.874	-0.0	0.0
-0.009	0.011	0.005	0.0	-133.874	-0.0
104150493.918	100064381.701	52043045.326	191316.697	-700430.688	-5757384.362

-115232812.643	-112632981.185	-58654180.703	347342.364	-780315.701	3636909.658
-156456215.085	-102062006.69	-18791496.695	-475452.277	-385138.235	-3293403.855
1831.379	1831.379	2054.667	-0.0	0.0	-0.0
-0.011	0.009	-0.005	-133.874	0.0	-0.0
0.009	-0.011	-0.005	-0.0	-133.874	-0.0
-112601921.639	-103816465.221	-51116100.405	553988.583	826480.947	-2099056.906

1088.319	125.012	125.012	0.0	-0.0	-0.0
125.013	1088.319	125.012	0.0	-0.0	-0.0
125.013	125.012	1088.319	-0.0	-0.0	-0.0
-0.0	-0.001	-0.0	641.275	0.0	-0.0
-0.0	-0.001	-0.0	0.0	641.275	-0.0
-0.0	-0.0	-0.0	0.0	0.0	641.275

1088.321	125.013	125.013	-0.0	-0.0	-0.0
125.013	1088.321	125.013	-0.0	-0.0	-0.0
125.013	125.013	1088.321	0.0	0.0	-0.0
0.0	-0.0	0.001	641.275	0.0	-0.0
-0.0	0.0	0.001	0.0	641.275	-0.0
-0.0	0.001	0.0	-0.0	-0.0	641.275

1088.318	125.011	125.011	-0.0	0.0	0.0
125.011	1088.318	125.011	-0.0	0.0	0.0
125.011	125.011	1088.318	-0.0	0.0	0.0
-0.0	0.0	-0.001	641.275	-0.0	0.0
0.0	-0.0	-0.001	-0.0	641.275	0.0
0.0	-0.001	-0.0	-0.0	-0.0	641.275

805.469	131.392	85.307	0.0	0.0	0.0
131.392	805.469	85.307	0.0	0.0	0.0
85.307	85.307	950.579	0.0	-0.0	0.0
-0.0	-0.0	-0.0	150.07	0.0	0.0
-0.0	-0.0	-0.0	0.0	150.07	0.0
-0.0	-0.0	-0.0	0.0	0.0	137.226

805.471	131.393	85.307	0.0	-0.0	0.0
131.393	805.471	85.307	0.0	0.0	0.0
85.307	85.307	950.585	0.0	0.0	0.0
0.0	-0.0	-0.0	150.07	0.0	0.0
-0.0	0.0	-0.0	0.0	150.07	0.0
-0.0	-0.0	-0.0	0.0	-0.0	137.226

805.467	131.391	85.307	-0.0	0.0	0.0
131.391	805.467	85.307	-0.0	0.0	0.0
85.307	85.307	950.574	-0.0	0.0	-0.0
-0.0	0.0	0.0	150.07	0.0	0.0
0.0	-0.0	0.0	-0.0	150.07	-0.0
0.0	0.0	0.0	-0.0	0.0	137.226

811.477	-0.0	-0.0
-0.0	811.477	-0.0
0.0	0.0	-0.0
-0.0	-0.0	-0.0
-0.0	0.0	-0.0
0.0	0.0	181.837

811.481	-0.0	-0.0
-0.0	811.481	-0.0
0.0	0.0	-0.0
-0.0	-0.0	-0.0
-0.0	0.0	-0.0
-0.0	-0.0	181.837