× 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.

1994--Tersoff-J--Si-C

Citation: J. Tersoff (1994), "Chemical order in amorphous silicon carbide", Physical Review B, 49(23), 16349-16352. DOI: 10.1103/physrevb.49.16349.

Abstract: While ordering in alloy crystals is well understood, short-range ordering in amorphous alloys remains controversial. Here, by studying computer-generated models of amorphous SiC, we show that there are two principal factors controlling the degree of chemical order in amorphous covalent alloys. One, the chemical preference for mixed bonds, is much the same in crystalline and amorphous materials. However, the other factor, the atomic size difference, is far less effective at driving ordering in amorphous material than in the crystal. As a result, the amorphous phase may show either strong ordering (as in GaAs), or weaker ordering (as in SiC), depending upon the relative importance of these two factors.

Notes: This parameterization uses the interactions of 1990--Tersoff-J--Si-C and the cutoff of 1989--Tersoff-J--Si-C, with a slight correction for heat of mixing.

LAMMPS pair_style tersoff (1994--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_1994.tersoff file in the August 22, 2018 LAMMPS distribution, with this file having higher numerical precision for the derived mixing parameters.
File(s):

1994_SiC.tersoff

Implementation Information

This page displays computed properties for the 1994--Tersoff-J--Si-C--LAMMPS--ipr1 implementation of the 1994--Tersoff-J--Si-C potential. Computed values for other implementations can be seen by clicking on the links below:

1994--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

1994--Tersoff-J--Si-C--LAMMPS--ipr1/diatom

Click on plot to load interactive version

1994--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

1994--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-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
oqmd-599491	dynamic	-7.473	-7.473	2.5147	2.5147	12.3194	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-1078845	box	-7.214	-7.214	4.1943	8.7783	2.5464	90.0	90.0	90.0
oqmd-637130	box	-7.0902	-7.0902	9.0617	2.5262	4.1942	90.0	90.0	90.0
mp-1190171	box	-7.0898	-7.0898	9.0583	2.5259	4.1953	90.0	90.0	90.0
oqmd-637352	box	-7.0834	-7.0834	9.1436	2.5292	4.1877	90.0	96.4	90.0
mp-1080826	box	-7.083	-7.083	9.1395	2.5293	4.1892	90.0	96.4	90.0
oqmd-637353	dynamic	-7.017	-7.017	4.3476	4.3476	2.5776	90.0	90.0	90.0
oqmd-637353	box	-7.0156	-7.0156	4.3561	4.3561	2.5713	90.0	90.0	90.0
mp-1008395	box	-7.0156	-7.0156	4.3562	4.3562	2.5713	90.0	90.0	90.0
mp-24	box	-6.9313	-6.9313	4.4213	4.4213	4.4213	90.0	90.0	90.0
mp-1188817	box	-6.3101	-6.3101	5.368	5.368	5.368	90.0	90.0	90.0
oqmd-637443	box	-6.3092	-6.3092	5.3684	5.3684	5.3684	90.0	90.0	90.0
oqmd-677227	dynamic	-6.2423	-6.2423	12.1448	12.1448	12.1448	90.0	90.0	90.0
mp-1008374	box	-6.2237	-6.2237	2.4521	8.4286	2.5953	90.0	90.0	90.0
oqmd-595714	dynamic	-6.1985	-6.1985	8.1631	8.8571	13.3966	90.0	90.0	90.0
oqmd-689315	dynamic	-6.162	-6.162	8.7976	15.758	16.3977	90.0	90.0	90.0
oqmd-610557	box	-6.0521	-6.0521	5.0644	5.2128	4.653	90.0	90.0	90.0
oqmd-610556	box	-6.0513	-6.0513	5.0617	5.2241	4.6524	90.0	90.0	90.0
mp-568410	box	-6.0489	-6.0489	5.0539	5.2546	4.6507	90.0	90.0	90.0
mp-568028	dynamic	-5.9747	-5.9747	7.5231	14.2576	9.3915	90.0	90.0	90.0
oqmd-684627	dynamic	-5.9495	-5.9495	8.4668	8.4668	14.297	90.0	90.0	90.0
mp-1205283	dynamic	-5.937	-5.937	9.2775	12.9084	8.3592	90.0	90.0	90.0
mp-667273	dynamic	-5.9145	-5.9145	13.0258	13.0258	13.0258	90.0	90.0	90.0
oqmd-684315	dynamic	-5.9011	-5.9011	9.3223	13.2132	8.2849	90.0	90.0	90.0
mp-570002	box	-5.8162	-5.8162	5.0545	5.0545	5.0545	90.0	90.0	90.0
oqmd-585286	box	-5.8151	-5.8151	5.0545	5.0545	5.0545	90.0	90.0	90.0
mp-1244913	dynamic	-5.7595	-5.7595	8.8998	9.6728	10.0229	88.4	87.0	89.9
mp-1244964	dynamic	-5.6644	-5.6644	9.0788	9.3569	10.2345	84.7	89.1	88.9
A7--alpha-As	dynamic	-5.6055	-5.6055	2.5205	2.5205	10.2079	90.0	90.0	120.0
mp-632329	dynamic	-5.6055	-5.6055	4.3656	2.5205	3.1593	90.0	93.7	90.0
oqmd-614417	box	-5.5635	-5.5635	9.6983	9.6983	26.3233	90.0	90.0	120.0
mp-1147718	dynamic	-5.561	-5.561	10.2159	14.6513	9.2192	90.0	90.0	90.0
mp-680372	box	-5.5573	-5.5573	9.7143	9.7143	27.1189	90.0	90.0	120.0
mp-1245190	dynamic	-5.5322	-5.5322	9.1273	9.6769	10.3578	87.1	89.1	87.9
oqmd-595714	box	-5.5032	-5.5032	9.7312	9.7415	15.6422	90.0	90.0	90.0
mp-630227	box	-5.4925	-5.4925	9.7528	9.8138	16.4079	90.0	90.0	90.0
oqmd-684627	box	-5.4716	-5.4716	9.7324	9.7324	16.4632	90.0	90.0	90.0
Ah--alpha-Po--sc	dynamic	-5.4709	-5.4709	1.7469	1.7469	1.7469	90.0	90.0	90.0
A5--beta-Sn	dynamic	-5.4646	-5.4646	3.3379	3.3379	1.7904	90.0	90.0	90.0
mp-1147718	box	-5.4344	-5.4344	11.0092	15.8366	9.8399	90.0	90.0	90.0
mp-683919	box	-5.4276	-5.4276	11.0043	18.7238	19.3221	90.0	90.0	90.0
oqmd-689315	box	-5.4049	-5.4049	10.9368	18.7223	19.387	90.0	90.0	90.0
mp-1196583	dynamic	-5.4046	-5.4046	14.3064	14.3064	14.3064	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-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-568028	box	-5.3353	-5.3353	8.8547	14.9133	10.3052	90.0	90.0	90.0
mp-568806	dynamic	-5.3137	-5.3137	2.6939	2.6939	3.83	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	dynamic	-5.3137	-5.3137	2.6939	4.6659	8.1499	90.0	90.0	90.0
mp-1040425	dynamic	-5.3137	-5.3137	2.6939	2.6939	19.9983	90.0	90.0	120.0
mp-568286	static	-5.3137	-5.3137	4.6659	2.6939	8.0283	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-48	static	-5.3137	-5.3137	2.6939	2.6939	7.8031	90.0	90.0	120.0
mp-990448	dynamic	-5.3137	-5.3137	2.6939	2.6939	9.9991	90.0	90.0	120.0
mp-568363	static	-5.3137	-5.3137	4.6659	2.6939	8.1499	90.0	90.0	90.0
oqmd-1215937	dynamic	-5.3137	-5.3137	2.6939	2.6939	7.3725	90.0	90.0	120.0
oqmd-637444	box	-5.3137	-5.3137	4.3991	4.3991	4.3991	90.0	90.0	90.0
oqmd-610552	box	-5.2831	-5.2831	4.9686	5.913	6.8093	90.0	90.0	90.0
mp-579909	box	-5.276	-5.276	4.9646	5.9319	7.2169	90.0	90.0	90.0
A7--alpha-As	box	-5.1793	-5.1793	2.4592	2.4592	6.2354	90.0	90.0	120.0
oqmd-1215224	box	-5.1176	-5.1176	1.7026	2.6256	3.7353	90.0	102.0	90.0
mp-1205283	box	-4.9723	-4.9723	11.0031	14.2524	9.6591	90.0	90.0	90.0
oqmd-684315	box	-4.7018	-4.7018	11.5033	16.2321	9.4633	90.0	90.0	90.0
A2--W--bcc	dynamic	-4.4721	-4.4721	2.1251	2.1251	2.1251	90.0	90.0	90.0
mp-1245190	box	-4.4081	-4.4081	11.323	11.5263	11.6359	88.3	89.8	87.5
oqmd-1216026	dynamic	-4.2525	-4.2525	2.4079	2.4079	9.167	90.0	93.3	90.0
oqmd-1216026	static	-4.2525	-4.2525	2.4079	2.4079	9.1654	90.0	93.2	90.0
A6--In--bct	dynamic	-4.2525	-4.2525	1.7026	1.7026	6.3803	90.0	90.0	90.0
A6--In--bct	dynamic	-4.2525	-4.2525	1.7026	1.7026	6.2432	90.0	90.0	90.0
A6--In--bct	static	-4.2525	-4.2525	1.7026	1.7026	3.4413	90.0	90.0	90.0
mp-1097832	dynamic	-4.2525	-4.2525	2.4079	2.4079	9.8799	90.0	90.0	90.0
mp-1056957	dynamic	-4.2525	-4.2525	2.4079	2.4079	6.399	90.0	90.0	90.0
mp-1196857	dynamic	-4.2513	-4.2513	9.1189	18.9629	5.9274	90.0	90.0	90.0
mp-1182684	dynamic	-4.2373	-4.2373	11.5421	11.6099	14.3074	90.0	90.1	90.0
mp-1244964	box	-4.1909	-4.1909	11.2437	11.6714	12.2848	89.9	84.3	86.2
mp-1095534	box	-3.946	-3.946	11.9643	11.9643	1.8094	90.0	90.0	90.0
A15--beta-W	box	-3.896	-3.896	3.3831	3.3831	3.3831	90.0	90.0	90.0
mp-1244913	box	-3.8578	-3.8578	11.9136	12.0449	12.4675	91.7	96.4	92.8
A1--Cu--fcc	static	-3.5213	-3.5213	2.7171	2.7171	2.7171	90.0	90.0	90.0
A3'--alpha-La--double-hcp	box	-3.5209	-3.5209	1.9207	1.9207	6.2788	90.0	90.0	120.0
A3--Mg--hcp	box	-3.5206	-3.5206	1.9202	1.9202	3.1411	90.0	90.0	120.0
mp-1182684	box	-3.3271	-3.3271	16.4037	13.3457	17.0757	90.0	90.2	90.0
mp-1182692	box	-3.2943	-3.2943	9.2459	11.4796	28.6552	81.2	84.6	66.7
oqmd-1214868	box	-3.2678	-3.2678	7.4748	7.4748	7.4748	90.0	90.0	90.0
A3--Mg--hcp	static	-3.2041	-3.2041	1.8474	1.8474	4.3092	90.0	90.0	120.0
mp-1205417	box	-3.0044	-3.0044	14.1585	14.1585	8.2188	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	static	-2.5242	-2.5242	1.6531	3.3388	3.4306	90.0	97.5	90.0
mp-1182029	dynamic	-2.5242	-2.5242	1.6531	3.3388	3.4498	90.0	99.6	90.0
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)
C1--CaF2--fluorite	box	-6.0939	-6.0939	4.5453	4.5453	4.5453	90.0	90.0	90.0
mp-1102811	box	-5.9839	-5.9839	4.6754	4.6754	4.6754	90.0	90.0	90.0
mp-1019097	box	-5.1747	-5.1747	3.0759	3.0759	7.4448	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	box	-4.9609	-4.9609	3.869	3.869	3.869	90.0	90.0	90.0
D0_3--BiF3	box	-4.7049	-4.7049	4.7537	4.7537	4.7537	90.0	90.0	90.0
L1_2--AuCu3	static	-4.0817	-4.0817	3.0301	3.0301	3.0301	90.0	90.0	90.0
mp-972848	dynamic	-3.2983	-3.2983	2.6145	2.6145	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	-4.4556	-4.4556	5.5404	11.6871	12.3135	69.5	87.5	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	-6.4338	-6.4338	3.0261	3.0261	214.9617	90.0	90.0	120.0
mp-1200848	dynamic	-6.4338	-6.4338	3.0261	3.0261	185.3118	90.0	90.0	120.0
mp-568696	dynamic	-6.4338	-6.4338	3.0261	3.0261	34.5915	90.0	90.0	120.0
mp-567551	dynamic	-6.4338	-6.4338	3.0261	3.0261	39.5332	90.0	90.0	120.0
mp-568735	dynamic	-6.4338	-6.4338	3.0261	3.0261	44.4748	90.0	90.0	120.0
mp-570641	dynamic	-6.4338	-6.4338	3.0261	3.0261	59.2998	90.0	90.0	120.0
mp-582034	dynamic	-6.4338	-6.4338	3.0261	3.0261	51.8873	90.0	90.0	120.0
mp-624397	dynamic	-6.4338	-6.4338	3.0261	3.0261	81.5372	90.0	90.0	120.0
mp-570804	dynamic	-6.4338	-6.4338	3.0261	3.0261	96.3621	90.0	90.0	120.0
mp-1197730	dynamic	-6.4338	-6.4338	3.0261	3.0261	126.012	90.0	90.0	120.0
mp-570791	dynamic	-6.4338	-6.4338	3.0261	3.0261	46.9457	90.0	90.0	120.0
mp-1204356	dynamic	-6.4338	-6.4338	3.0261	3.0261	140.837	90.0	90.0	120.0
B3--ZnS--cubic-zinc-blende	dynamic	-6.4338	-6.4338	4.2796	4.2796	4.2796	90.0	90.0	90.0
mp-1199063	dynamic	-6.4338	-6.4338	3.0261	3.0261	207.5492	90.0	90.0	120.0
mp-571286	dynamic	-6.4338	-6.4338	3.0261	3.0261	88.9497	90.0	90.0	120.0
mp-570985	dynamic	-6.4338	-6.4338	3.0261	3.0261	66.7122	90.0	90.0	120.0
mp-568619	box	-6.4338	-6.4338	3.0265	3.0265	12.351	90.0	90.0	120.0
mp-1204356	box	-6.4338	-6.4338	3.0268	3.0268	140.7768	90.0	90.0	120.0
mp-567505	box	-6.4338	-6.4338	3.0267	3.0267	19.7596	90.0	90.0	120.0
mp-568696	box	-6.4338	-6.4338	3.0268	3.0268	34.5772	90.0	90.0	120.0
mp-582034	box	-6.4338	-6.4338	3.0268	3.0268	51.8651	90.0	90.0	120.0
mp-9947	box	-6.4338	-6.4338	3.0269	3.0269	51.8598	90.0	90.0	120.0
mp-567551	box	-6.4337	-6.4337	3.0268	3.0268	39.5159	90.0	90.0	120.0
mp-571286	box	-6.4337	-6.4337	3.0269	3.0269	88.9044	90.0	90.0	120.0
mp-1200692	box	-6.4337	-6.4337	3.0268	3.0268	125.9552	90.0	90.0	120.0
mp-7631	box	-6.4337	-6.4337	3.0269	3.0269	14.8177	90.0	90.0	120.0
mp-570985	box	-6.4337	-6.4337	3.0269	3.0269	66.678	90.0	90.0	120.0
mp-571298	box	-6.4337	-6.4337	3.027	3.027	96.3066	90.0	90.0	120.0
mp-568656	box	-6.4337	-6.4337	3.0269	3.0269	24.6966	90.0	90.0	120.0
mp-7140	box	-6.4337	-6.4337	3.028	3.028	4.9357	90.0	90.0	120.0
mp-568735	box	-6.4337	-6.4337	3.027	3.027	44.4507	90.0	90.0	120.0
mp-11713	box	-6.4337	-6.4337	3.0272	3.0272	37.0367	90.0	90.0	120.0
mp-570791	box	-6.4337	-6.4337	3.0271	3.0271	46.9152	90.0	90.0	120.0
mp-11714	box	-6.4337	-6.4337	3.0272	3.0272	9.8762	90.0	90.0	120.0
mp-570804	box	-6.4336	-6.4336	3.0279	3.0279	96.2496	90.0	90.0	120.0
mp-570641	box	-6.4336	-6.4336	3.0281	3.0281	59.2222	90.0	90.0	120.0
mp-1197730	box	-6.4336	-6.4336	3.0273	3.0273	125.9211	90.0	90.0	120.0
mp-1200168	box	-6.4336	-6.4336	3.0284	3.0284	214.6445	90.0	90.0	120.0
mp-624397	box	-6.4336	-6.4336	3.0285	3.0285	81.4107	90.0	90.0	120.0
mp-570690	box	-6.4335	-6.4335	3.0286	3.0286	66.603	90.0	90.0	120.0
mp-1200848	box	-6.4333	-6.4333	3.0285	3.0285	185.0254	90.0	90.0	120.0
B1--NaCl--rock-salt	box	-5.2496	-5.2496	4.231	4.231	4.231	90.0	90.0	90.0
B2--CsCl	static	-4.051	-4.051	2.6226	2.6226	2.6226	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	-4.2875	-4.2875	5.191	5.191	5.191	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)
L1_2--AuCu3	dynamic	-2.9518	-2.9518	3.8143	3.8143	3.8143	90.0	90.0	90.0
D0_3--BiF3	box	-2.8256	-2.8256	5.6072	5.6072	5.6072	90.0	90.0	90.0
D0_3--BiF3	box	-2.8216	-2.8216	5.6733	5.6733	5.6733	90.0	90.0	90.0
A15--Cr3Si	static	-2.3467	-2.3467	4.5646	4.5646	4.5646	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	dynamic	-4.5877	-4.5877	10.3317	10.3317	16.9075	90.0	90.0	120.0
mp-1203790	box	-4.5875	-4.5875	10.3303	10.3303	16.9151	90.0	90.0	120.0
mp-971662	dynamic	-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	-4.4217	-4.4217	10.0381	10.0381	24.4881	90.0	90.0	90.0
mp-1204046	box	-4.4111	-4.4111	10.1011	10.1011	24.332	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
Ah--alpha-Po--sc	dynamic	-4.311	-4.311	2.5444	2.5444	2.5444	90.0	90.0	90.0
A7--alpha-As	box	-4.3109	-4.3109	3.5983	3.5983	8.8139	90.0	90.0	120.0
mp-1120747	dynamic	-4.3059	-4.3059	5.7332	5.7332	3.5093	90.0	90.0	120.0
A5--beta-Sn	dynamic	-4.3017	-4.3017	4.9036	4.9036	2.5678	90.0	90.0	90.0
mp-8629	box	-4.3011	-4.3011	4.8881	4.9186	2.5677	90.0	90.0	90.0
oqmd-1214748	box	-4.296	-4.296	4.6999	7.3483	3.9134	90.0	90.0	90.0
oqmd-7479	box	-4.2934	-4.2934	4.8451	4.9562	2.5664	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-10215	dynamic	-4.2193	-4.2193	14.6657	14.6657	14.6657	90.0	90.0	90.0
mp-1245041	dynamic	-4.213	-4.213	12.8448	12.9911	13.0351	71.4	73.5	76.0
mp-1244933	dynamic	-4.2059	-4.2059	12.3167	12.6113	12.6782	78.7	73.3	76.8
A2--W--bcc	dynamic	-4.1969	-4.1969	3.0844	3.0844	3.0844	90.0	90.0	90.0
mp-1244971	dynamic	-4.1968	-4.1968	11.6393	12.8678	13.5301	98.0	97.3	99.6
mp-1245242	dynamic	-4.1875	-4.1875	12.5522	12.7234	12.7603	79.9	80.4	82.4
oqmd-1214837	static	-4.1857	-4.1857	10.1977	10.1977	10.1977	90.0	90.0	90.0
oqmd-1214837	box	-4.1799	-4.1799	10.1882	10.1882	10.1882	90.0	90.0	90.0
oqmd-51152	dynamic	-4.1589	-4.1589	2.6971	2.6971	2.6147	90.0	90.0	120.0
oqmd-717361	box	-4.149	-4.149	7.6261	7.6261	7.6261	90.0	90.0	90.0
mp-1244933	box	-4.1307	-4.1307	12.3631	12.6134	12.618	78.9	77.4	72.9
mp-1245041	box	-4.1248	-4.1248	12.7608	12.8588	12.9759	72.0	73.6	75.7
mp-1244971	box	-4.1233	-4.1233	11.7345	12.7267	13.4634	97.7	97.3	99.1
oqmd-10215	box	-4.1131	-4.1131	14.4439	14.4439	14.4439	90.0	90.0	90.0
mp-1245242	box	-4.1091	-4.1091	12.5049	12.6559	12.7277	79.2	80.5	82.9
mp-16220	box	-4.1063	-4.1063	14.4347	14.4347	14.4347	90.0	90.0	90.0
mp-1120447	box	-4.1062	-4.1062	5.2593	5.5	6.7815	71.3	71.2	84.1
mp-1268191	box	-4.0665	-4.0665	7.0008	7.0008	2.5809	90.0	90.0	120.0
mp-1244990	box	-4.0455	-4.0455	12.2358	12.2912	12.7606	102.4	102.8	99.2
oqmd-691764	box	-4.0413	-4.0413	2.7248	2.7248	7.0422	90.0	90.0	120.0
oqmd-78173	box	-4.0404	-4.0404	5.0697	5.4127	9.3151	90.0	90.0	90.0
mp-109	box	-4.0147	-4.0147	5.0768	5.4811	9.0333	90.0	90.0	90.0
A7--alpha-As	box	-3.9895	-3.9895	3.8231	3.8231	7.5289	90.0	90.0	120.0
mp-1120747	box	-3.9862	-3.9862	5.351	5.351	4.44	90.0	90.0	120.0
oqmd-1215995	static	-3.9114	-3.9114	3.9908	3.9908	7.4613	90.0	90.0	120.0
A1--Cu--fcc	dynamic	-3.8677	-3.8677	3.8975	3.8975	3.8975	90.0	90.0	90.0
A3'--alpha-La--double-hcp	box	-3.8677	-3.8677	2.7559	2.7559	9.0009	90.0	90.0	120.0
A3--Mg--hcp	dynamic	-3.8677	-3.8677	2.7559	2.7559	4.5004	90.0	90.0	120.0
A6--In--bct	box	-3.8676	-3.8676	2.7686	2.7686	3.8622	90.0	90.0	90.0
oqmd-1216087	box	-3.8674	-3.8674	2.756	2.756	20.2508	90.0	90.0	120.0
oqmd-78174	box	-3.859	-3.859	8.7431	5.2278	5.2803	90.0	90.0	90.0
oqmd-15748	box	-3.8519	-3.8519	8.6627	5.2414	5.2867	90.0	90.0	90.0
mp-1079649	box	-3.8466	-3.8466	8.7821	5.2062	5.2861	90.0	90.0	90.0
A15--beta-W	box	-3.8365	-3.8365	4.8716	4.8716	4.8716	90.0	90.0	90.0
oqmd-1214926	box	-3.5315	-3.5315	6.6976	6.6976	6.6976	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:

7314.679	4378.771	4378.771	-0.0	0.0	-0.0
4378.771	7314.679	4378.771	-0.0	-0.0	0.0
4378.771	4378.771	7314.679	-0.0	-0.0	-0.0
-0.0	0.0	-0.0	887.67	-0.0	-0.0
0.0	0.0	-0.0	-0.0	887.67	0.0
-0.0	0.0	-0.0	-0.0	-0.0	887.67

5698806944.77	1652095837.624	4507414298.555	-1924022.301	1750308.382	-648087015.349
3148490088.678	2121233143.97	6009466055.306	-8755489.446	127265403.193	-76582263.523
5022.701	5022.701	5292.623	-0.001	-0.001	-0.0
-0.0	0.0	-0.001	-635.286	-0.002	0.0
-0.0	-0.0	-0.001	-0.0	-635.285	0.0
-0.0	0.0	-0.002	-0.0	0.0	-259.135

-3489904818.221	-2062107407.69	-5804277476.083	33122729.081	503412.882	6027452.635
-5642978688.997	-1533387044.867	-4472299952.084	2865962.642	-2668565.195	559200718.648
5022.701	5022.701	5292.627	0.0	0.001	0.0
0.0	-0.0	0.001	-635.287	0.0	-0.0
0.0	0.0	0.002	0.0	-635.286	-0.0
0.0	-0.0	0.002	0.0	-0.0	-259.135

547264275.292	120288784.387	449551113.757	-266142.939	153999.589	-65017839.516
346944896.498	197057785.584	579205110.82	-959957.379	-688769.701	-8144935.77
5022.701	5022.701	5292.624	-0.0	-0.0	0.0
0.0	-0.0	0.0	-635.286	0.0	-0.0
-0.0	0.0	0.0	-0.0	-635.286	0.0
341506117.267	630850610.084	414339939.086	325783.145	111036.208	-187175008.846

-355795702.026	-193960162.951	-603550051.069	965246.977	5048152.361	7918245.565
-551375329.791	-92622855.672	-475130160.943	-256169.28	356491.293	62838666.804
5022.701	5022.701	5292.626	0.0	-0.0	-0.0
-0.0	0.0	-0.0	-635.286	-0.0	0.0
0.0	-0.0	-0.0	0.0	-635.286	-0.0
-291124684.771	-567043748.343	-347596767.394	981889.997	502834.92	69765329.298

57098540.663	7720101.281	45569280.811	18089.729	-16742.558	-6427593.626
35925115.708	18434076.448	57634824.95	-185235.683	-32804.448	-1299982.441
5022.702	5022.702	5292.617	-0.0	0.0	0.0
0.0	-0.0	0.005	-635.286	0.0	-0.0
-0.0	0.0	0.005	-0.0	-635.286	0.0
32468917.605	56994611.925	55601620.378	-12909.28	23982.815	-12856464.623

7314.678	4378.771	4378.771	0.0	0.0	-0.0
4378.771	7314.678	4378.771	0.0	0.0	0.0
4378.771	4378.771	7314.678	0.0	0.0	0.0
-0.0	0.0	0.0	887.67	0.0	-0.0
-0.0	-0.0	0.0	0.0	887.67	-0.0
0.0	0.0	0.0	0.0	0.0	887.67

7539.122	4266.552	4266.552	-0.0	-0.0	0.0
4266.552	7539.122	4266.552	-0.0	0.0	-0.0
4266.552	4266.552	7539.122	-0.0	-0.0	-0.0
0.0	-0.0	-0.0	1313.356	-0.0	-0.0
-0.0	0.0	-0.0	-0.0	1313.356	0.0
-0.0	-0.0	0.0	-0.0	-0.0	1313.356

7314.674	4378.771	4378.771	-0.0	-0.0	-0.0
4378.771	7314.674	4378.771	-0.0	0.0	-0.0
4378.771	4378.771	7314.674	0.0	0.0	-0.0
-0.0	0.0	0.0	1313.356	0.0	-0.0
0.0	-0.0	0.0	0.0	1313.356	-0.0
0.0	0.0	-0.0	0.0	0.0	1313.356

7312.935	4379.672	4379.672	-0.0	-0.0	0.0
4379.672	7312.935	4379.672	0.0	0.0	0.0
4379.672	4379.672	7312.935	-0.0	-0.0	0.0
0.002	0.005	0.005	887.67	-0.0	0.0
0.005	0.002	0.005	-0.0	887.67	0.0
0.005	0.005	0.002	0.0	-0.0	887.67

7314.631	4378.766	4378.766	-0.0	0.0	-0.0
4378.766	7314.631	4378.766	0.0	0.0	0.0
4378.766	4378.766	7314.631	0.0	0.0	-0.0
-0.002	-0.005	-0.005	887.67	0.0	0.0
-0.005	-0.002	-0.005	0.0	887.67	-0.0
-0.005	-0.005	-0.002	0.0	0.0	887.67

2141.862	1637.165	1637.165	-0.0	-0.0	0.0
1637.165	2141.862	1637.165	-0.0	-0.0	0.0
1637.165	1637.165	2141.862	-0.0	-0.0	0.0
0.0	-0.0	0.0	658.147	-0.0	-0.0
-0.0	0.0	0.0	-0.0	658.148	0.0
0.0	0.0	-0.0	-0.0	-0.0	658.148

2141.861	1637.164	1637.164	-0.0	-0.0	0.0
1637.165	2141.861	1637.164	-0.0	-0.0	0.0
1637.164	1637.164	2141.861	-0.0	-0.0	0.0
-0.0	-0.0	-0.0	658.148	-0.0	0.0
-0.0	-0.0	-0.0	-0.0	658.148	0.0
-0.0	-0.0	-0.0	-0.0	-0.0	658.148

2141.863	1637.166	1637.166	0.0	0.0	-0.0
1637.166	2141.863	1637.166	0.0	0.0	0.0
1637.166	1637.166	2141.863	0.0	0.0	-0.0
0.0	0.0	0.0	658.148	0.0	-0.0
0.0	0.0	0.0	0.0	658.148	-0.0
0.0	0.0	0.0	0.0	0.0	658.148

2141.853	1637.158	1637.158	-0.0	-0.0	0.0
1637.158	2141.853	1637.158	-0.0	-0.0	0.0
1637.158	1637.158	2141.853	-0.0	-0.0	0.0
-0.0	-0.002	-0.001	658.148	-0.0	0.0
-0.002	-0.0	-0.001	-0.0	658.148	0.0
-0.002	-0.001	-0.0	-0.0	-0.0	658.148

2141.871	1637.172	1637.172	0.0	0.0	-0.0
1637.172	2141.871	1637.172	0.0	0.0	-0.0
1637.172	1637.172	2141.871	0.0	0.0	-0.0
0.0	0.002	0.001	658.148	0.0	0.0
0.002	0.0	0.001	0.0	658.148	-0.0
0.002	0.001	0.0	0.0	0.0	658.148

-33849369.451	-16769424.888	-56980780.178	307303.199	191342.052	912581.214
-56819869.455	-3897177.451	-45394179.454	-41779.396	-11791.826	4777610.901
5022.7	5022.7	5292.633	-0.0	0.0	-0.0
-0.0	0.0	-0.005	-635.286	-0.0	-0.0
0.0	-0.0	-0.005	-0.0	-635.286	-0.0
-29879757.415	-62100070.533	-37708409.05	-29243.489	-25298.562	381161.898

-8144351600.003	-2192917417.406	-4291091105.914	-7696792.446	-14837359.027	-55107514.017
5479.766	4848.802	5015.074	0.001	0.0	0.0
5015.076	5015.076	5304.965	0.001	0.0	-0.0
0.0	0.0	-0.001	-738.981	0.0	-0.001
0.0	0.0	-0.001	0.001	-738.982	-0.0
-3081151755.349	-2298872519.071	-2490646045.587	-175356.607	-1772031.887	1084243890.632

326486177.461	69675260.573	363677317.838	-170757.8	-601310.01	-6435182.999
692333809.067	180137465.711	349565164.744	2522026.693	-4525153.171	-7988225.757
5015.076	5015.076	5304.965	-0.0	-0.0	0.0
0.0	-0.0	0.001	-738.982	-0.0	0.0
-0.0	0.0	0.001	-0.0	-738.982	-0.0
298619663.517	149624527.527	262832912.09	-87344.781	129051.491	114793162.702

-734773294.114	-249713782.175	-382669747.22	1473257.534	-2093398.972	-809783.329
-337279907.235	-41688543.627	-387898676.703	170447.327	-820009.22	20955373.501
5015.076	5015.076	5304.967	0.0	0.0	-0.0
-0.0	0.0	-0.001	-738.982	0.0	0.0
0.0	0.0	-0.001	0.0	-738.982	-0.0
-292199372.608	-96146857.022	-200074933.409	209992.557	84308.376	119106607.705

2533.868	2347.164	0.0
2347.164	2533.868	0.001
-0.0	-0.0	0.0
-0.0	-0.0	0.0
-0.0	-0.0	0.0
-0.0	0.0	93.352

2533.868	2347.165	-0.0	-0.0	-0.0	-0.0
2347.165	2533.869	-0.0	-0.0	-0.0	-0.001
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	93.351

2533.868	2347.162	0.0
2347.163	2533.867	0.0
-0.0	-0.0	0.0
-0.0	-0.0	0.0
-0.0	-0.0	0.0
-0.0	0.001	93.352

2533.869	2347.167	-0.0	-0.0	-0.0	-0.0
2347.166	2533.87	-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	93.352

2533.861	2347.143	0.0
2347.152	2533.852	0.0
-0.0	-0.0	0.0
-0.0	-0.0	0.0
-0.0	-0.0	0.0
-0.004	0.006	93.352

2533.875	2347.186	-0.0	-0.0	-0.0	-0.0
2347.177	2533.885	-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
0.004	-0.006	-0.0	-0.0	-0.0	93.352

4848.803	5479.766	5015.077	-0.001	-0.0	-0.0
5479.766	4848.803	5015.077	-0.001	-0.0	-0.0
5015.075	5015.075	5304.967	-0.001	-0.0	0.001
-0.0	-0.0	0.001	-738.983	-0.0	0.001
-0.0	-0.001	0.001	-0.001	-738.982	-0.001
2245973260.13	1106545477.722	2375080140.189	648529.31	-586982.782	1249877460.871

32587355.151	9196027.501	37637749.771	26501.705	-8689.343	-1324509.371
72663123.037	15874423.725	35268183.761	-241163.326	207531.661	-1290317.329
5015.077	5015.077	5304.958	-0.0	-0.0	-0.0
0.0	0.0	0.004	-738.982	-0.0	0.0
0.0	0.0	0.004	-0.0	-738.982	0.0
21578646.418	15754651.602	29222800.442	29236.298	15889.827	13607932.169

-71404674.193	-19419945.543	-34896643.829	11287.415	307729.367	827252.397
-34831472.989	-4759474.582	-40831657.888	-17024.466	25248.75	3098528.512
5015.075	5015.075	5304.974	0.0	0.0	-0.0
-0.0	-0.0	-0.004	-738.982	0.0	-0.0
-0.0	-0.0	-0.004	0.0	-738.982	0.0
-23844089.756	-10218196.255	-19136717.415	-4329.199	6177.634	12498245.398

1007.742	168.833	168.834	0.001	0.001	0.001
168.831	1007.743	168.834	0.001	0.001	0.001
168.831	168.833	1007.742	0.001	0.001	0.001
0.0	0.002	-0.001	462.45	-0.0	0.001
0.001	0.001	-0.001	-0.0	462.45	0.001
0.001	0.001	-0.001	0.0	-0.0	462.451

1007.741	168.83	168.828	-0.001	-0.001	-0.001
168.831	1007.741	168.828	-0.001	-0.001	-0.001
168.831	168.83	1007.741	-0.0	-0.001	-0.001
-0.0	-0.001	0.001	462.45	0.0	-0.001
-0.0	-0.001	0.001	0.0	462.45	-0.001
-0.0	-0.001	0.0	-0.0	-0.0	462.449

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

1111.908	145.32	137.615	-0.0	0.0	-0.0
145.32	1111.908	137.615	-0.0	-0.0	-0.0
137.615	137.615	1213.008	-0.0	-0.0	-0.0
-0.0	-0.0	0.0	254.055	-0.0	-0.0
-0.0	-0.0	0.0	-0.0	254.055	-0.0
0.0	-0.0	0.0	-0.0	-0.0	287.145

1111.908	145.319	137.615	0.0	-0.0	0.0
145.32	1111.907	137.615	0.001	-0.0	0.0
137.615	137.615	1213.007	0.0	-0.0	0.0
-0.0	0.0	-0.0	254.056	0.0	0.0
0.0	0.0	-0.0	0.0	254.056	0.0
-0.0	0.0	-0.0	0.0	0.0	287.146

1111.911	145.321	137.616	-0.0	0.0	-0.0
145.321	1111.911	137.616	-0.0	-0.0	-0.0
137.615	137.615	1213.014	-0.0	-0.0	-0.0
0.0	-0.0	-0.0	254.056	0.0	-0.0
-0.0	0.0	-0.0	-0.0	254.056	-0.0
-0.0	-0.0	-0.0	-0.0	-0.0	287.145

1111.904	145.319	137.614	0.0	0.0	0.0
145.319	1111.904	137.614	0.0	0.0	0.0
137.615	137.615	1213.001	0.0	-0.0	0.0
-0.0	0.0	0.0	254.056	0.0	0.0
0.0	-0.0	0.0	0.0	254.056	0.0
0.0	0.0	0.0	0.0	-0.0	287.145

1582.406	-0.001	0.0
-0.001	1582.406	0.0
-0.001	-0.001	0.0
-0.001	-0.001	0.0
-0.001	-0.001	0.0
-0.001	-0.001	379.101

1582.407	0.001	-0.0	-0.0	-0.0	-0.0
0.001	1582.407	-0.0	-0.0	-0.0	-0.0
0.001	0.001	-0.0	-0.0	-0.0	-0.0
0.001	0.001	-0.0	-0.0	-0.0	-0.0
0.001	0.001	-0.0	-0.0	-0.0	-0.0
0.001	0.001	-0.0	-0.0	-0.0	379.101

1582.405	0.0	-0.0	-0.0	-0.0	-0.0
0.0	1582.405	-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	0.0	-0.0	-0.0	-0.0	379.101