× 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.

2014--Kang-K-H-Eun-T-Jun-M-C-Lee-B-J--Si-C

Citation: K.-H. Kang, T. Eun, M.-C. Jun, and B.-J. Lee (2014), "Governing factors for the formation of 4H or 6H-SiC polytype during SiC crystal growth: An atomistic computational approach", Journal of Crystal Growth, 389, 120-133. DOI: 10.1016/j.jcrysgro.2013.12.007.

Abstract: The effects of various process variables on the formation of polytypes during SiC single crystal growths have been investigated using atomistic simulations based on an empirical potential (the second nearest-neighbor MEAM) and first-principles calculation. It is found out that the main role of process variables (temperature, surface type, growth rate, atmospheric condition, dopant type, etc.) is not to directly change the relative stability of SiC polytypes directly but to change the formation tendency of point defects. The biaxial local strain due to the formation of point defects is found to have an effect on the relative stability of SiC polytypes and is proposed in the present study as a governing factor that affects the selective growth of SiC polytypes. Based on the present local strain scheme, the competitive growth among SiC polytypes, especially the 4H and 6H-SiC, available in literatures can be reasonably explained by interpreting the effect of each process variable in terms of defect formation and the resultant local strain. Those results provide an insight into the selective growth of SiC polytypes and also help us obtain high quality SiC single crystals.

LAMMPS pair_style meam (2014--Kang-K-H--Si-C--LAMMPS--ipr1)

See Computed Properties
Notes: These potential files were obtained from http://cmse.postech.ac.kr/home_2nnmeam, accessed Nov 9, 2020.
File(s):

library.meam
SiC.meam

OpenKIM (MO_145522277939)

See Computed Properties
Notes: Listing found at https://openkim.org.
Link(s):

KIM page MEAM_2NN_Fe_to_Ga__MO_145522277939_001

Implementation Information

This page displays computed properties for the 2014--Kang-K-H--Si-C--LAMMPS--ipr1 implementation of the 2014--Kang-K-H-Eun-T-Jun-M-C-Lee-B-J--Si-C 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

2014--Kang-K-H--Si-C--LAMMPS--ipr1/diatom

Click on plot to load interactive version

2014--Kang-K-H--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

2014--Kang-K-H--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)
A4--C--dc	dynamic	-7.37	-7.37	3.5565	3.5565	3.5565	90.0	90.0	90.0
oqmd-599492	dynamic	-7.3658	-7.3658	2.5098	2.5098	16.5018	90.0	90.0	120.0
mp-569567	dynamic	-7.3652	-7.3652	2.5091	2.5091	43.3426	90.0	90.0	120.0
oqmd-599491	dynamic	-7.3645	-7.3645	2.5083	2.5083	12.3931	90.0	90.0	120.0
mp-569517	dynamic	-7.3637	-7.3637	2.5073	2.5073	31.009	90.0	90.0	120.0
oqmd-599492	box	-7.3627	-7.3627	2.5075	2.5075	16.5454	90.0	90.0	120.0
oqmd-599490	dynamic	-7.3625	-7.3625	2.5059	2.5059	8.2795	90.0	90.0	120.0
mp-616440	box	-7.3624	-7.3624	2.5073	2.5073	16.5489	90.0	90.0	120.0
oqmd-599494	static	-7.3617	-7.3617	2.5065	2.5065	43.4745	90.0	90.0	120.0
mp-569567	box	-7.3611	-7.3611	2.5065	2.5065	43.4818	90.0	90.0	120.0
oqmd-599491	box	-7.3603	-7.3603	2.5054	2.5054	12.4354	90.0	90.0	120.0
mp-611448	box	-7.3601	-7.3601	2.5053	2.5053	12.437	90.0	90.0	120.0
oqmd-599489	dynamic	-7.3597	-7.3597	2.5033	2.5033	4.1494	90.0	90.0	120.0
mp-569517	box	-7.3583	-7.3583	2.5038	2.5038	31.1414	90.0	90.0	120.0
oqmd-599493	box	-7.3582	-7.3582	2.5037	2.5037	31.1432	90.0	90.0	120.0
mp-611426	box	-7.3561	-7.3561	2.5018	2.5018	8.3206	90.0	90.0	120.0
oqmd-599490	box	-7.356	-7.356	2.5018	2.5018	8.3205	90.0	90.0	120.0
mp-47	box	-7.3475	-7.3475	2.494	2.494	4.1915	90.0	90.0	120.0
oqmd-599489	box	-7.3474	-7.3474	2.494	2.494	4.1917	90.0	90.0	120.0
mp-1078845	dynamic	-7.2829	-7.2829	4.2567	8.7241	2.5013	90.0	90.0	90.0
mp-1078845	box	-7.2576	-7.2576	4.266	8.8338	2.4786	90.0	90.0	90.0
oqmd-637353	dynamic	-7.2518	-7.2518	4.3993	4.3993	2.4801	90.0	90.0	90.0
mp-1008374	static	-7.2345	-7.2345	2.5428	7.9145	2.5252	90.0	90.0	90.0
oqmd-637353	box	-7.2248	-7.2248	4.4381	4.4381	2.4464	90.0	90.0	90.0
mp-1008395	box	-7.2247	-7.2247	4.4381	4.4381	2.4464	90.0	90.0	90.0
mp-1008374	box	-7.2114	-7.2114	2.5055	8.073	2.5023	90.0	90.0	90.0
mp-1080826	dynamic	-7.2102	-7.2102	9.2134	2.5312	4.176	90.0	99.2	90.0
mp-1190171	dynamic	-7.2069	-7.2069	9.1075	2.5298	4.1764	90.0	90.0	90.0
mp-1080826	box	-7.1653	-7.1653	9.1645	2.5469	4.1491	90.0	97.2	90.0
oqmd-637352	box	-7.1652	-7.1652	9.1651	2.5471	4.1486	90.0	97.2	90.0
oqmd-637130	box	-7.1617	-7.1617	9.072	2.5488	4.1493	90.0	90.0	90.0
mp-1190171	box	-7.161	-7.161	9.0711	2.549	4.149	90.0	90.0	90.0
mp-568806	dynamic	-7.1528	-7.1528	2.5172	2.5172	2.6807	90.0	90.0	120.0
oqmd-637443	dynamic	-7.1352	-7.1352	5.2175	5.2175	5.2175	90.0	90.0	90.0
oqmd-683820	dynamic	-7.1199	-7.1199	2.5367	4.3133	5.4679	90.0	90.0	90.0
oqmd-637443	box	-7.1126	-7.1126	5.2215	5.2215	5.2215	90.0	90.0	90.0
mp-1188817	box	-7.1116	-7.1116	5.2215	5.2215	5.2215	90.0	90.0	90.0
mp-569304	dynamic	-7.0613	-7.0613	2.5098	2.5098	35.5724	90.0	90.0	120.0
oqmd-610557	box	-7.0508	-7.0508	4.7842	5.3113	4.469	90.0	90.0	90.0
oqmd-610556	box	-7.0489	-7.0489	4.7793	5.3221	4.469	90.0	90.0	90.0
mp-568410	box	-7.0441	-7.0441	4.7631	5.3596	4.468	90.0	90.0	90.0
oqmd-637444	static	-6.9788	-6.9788	4.1018	4.1018	4.1018	90.0	90.0	90.0
mp-937760	dynamic	-6.9777	-6.9777	2.5119	4.3508	7.98	90.0	90.0	90.0
mp-1040425	dynamic	-6.9777	-6.9777	2.5119	2.5119	19.9983	90.0	90.0	120.0
mp-990448	static	-6.9777	-6.9777	2.5119	2.5119	9.9991	90.0	90.0	120.0
mp-680372	dynamic	-6.9772	-6.9772	9.6179	9.6179	19.0647	90.0	90.0	120.0
mp-1196857	dynamic	-6.9267	-6.9267	6.8363	14.9107	3.5822	90.0	90.0	90.0
mp-683919	dynamic	-6.9264	-6.9264	8.9055	15.5134	16.865	90.0	90.0	90.0
mp-1205283	dynamic	-6.9138	-6.9138	9.535	12.196	8.7799	90.0	90.0	90.0
oqmd-595714	dynamic	-6.9116	-6.9116	8.4974	8.9354	13.1162	90.0	90.0	90.0
mp-630227	dynamic	-6.9116	-6.9116	8.4975	8.9354	13.1162	90.0	90.0	90.0
mp-24	dynamic	-6.9025	-6.9025	4.4231	4.4231	4.4231	90.0	90.0	90.0
oqmd-603085	dynamic	-6.8779	-6.8779	12.9389	12.9389	12.9389	90.0	90.0	90.0
mp-568028	dynamic	-6.8617	-6.8617	8.2079	13.7015	9.0962	90.0	90.0	90.0
mp-24	box	-6.8452	-6.8452	4.4854	4.4854	4.4854	90.0	90.0	90.0
mp-1203645	dynamic	-6.811	-6.811	8.7409	4.7223	11.8149	90.0	116.7	90.0
mp-1245190	dynamic	-6.8104	-6.8104	8.6189	9.7894	9.8434	90.3	91.9	92.9
oqmd-677227	dynamic	-6.8103	-6.8103	12.7209	12.7209	12.7209	90.0	90.0	90.0
mp-570002	dynamic	-6.8012	-6.8012	4.945	4.945	4.945	90.0	90.0	90.0
oqmd-614417	box	-6.7901	-6.7901	9.3537	9.3537	24.4938	90.0	90.0	120.0
mp-680372	box	-6.7845	-6.7845	9.379	9.379	25.1542	90.0	90.0	120.0
mp-1194362	dynamic	-6.7616	-6.7616	8.4782	4.9903	8.6398	90.0	101.6	90.0
oqmd-595714	box	-6.7563	-6.7563	9.2289	9.3986	14.7705	90.0	90.0	90.0
mp-1244913	dynamic	-6.7488	-6.7488	9.4297	9.6369	9.8559	90.3	92.2	95.8
mp-1244964	dynamic	-6.7385	-6.7385	9.5135	9.5407	10.33	94.7	90.8	90.3
mp-630227	box	-6.7334	-6.7334	9.3745	9.4301	15.3426	90.0	90.0	90.0
mp-683919	box	-6.7327	-6.7327	10.3536	17.8494	18.4291	90.0	90.0	90.0
oqmd-684627	box	-6.7208	-6.7208	9.3422	9.3422	15.4406	90.0	90.0	90.0
oqmd-689315	box	-6.7203	-6.7203	10.2965	17.8589	18.455	90.0	90.0	90.0
mp-568028	box	-6.7005	-6.7005	8.5573	14.3141	9.7693	90.0	90.0	90.0
mp-1147718	box	-6.6905	-6.6905	10.4526	14.9479	9.4628	90.0	90.0	90.0
oqmd-603085	box	-6.6758	-6.6758	14.265	14.265	14.265	90.0	90.0	90.0
mp-667273	box	-6.6694	-6.6694	14.4202	14.4202	14.4202	90.0	90.0	90.0
mp-624889	box	-6.6564	-6.6564	4.8889	5.2723	5.6072	90.0	90.0	90.0
oqmd-677227	box	-6.6508	-6.6508	14.478	14.478	14.478	90.0	90.0	90.0
mp-1196583	box	-6.6485	-6.6485	14.7055	14.7055	14.7055	90.0	90.0	90.0
mp-1182692	dynamic	-6.6206	-6.6206	6.2779	8.8022	18.6706	81.1	86.8	70.6
oqmd-610552	box	-6.5971	-6.5971	4.7435	5.6558	6.3836	90.0	90.0	90.0
oqmd-585286	box	-6.5936	-6.5936	5.0095	5.0095	5.0095	90.0	90.0	90.0
mp-570002	box	-6.5911	-6.5911	5.0103	5.0103	5.0103	90.0	90.0	90.0
mp-579909	box	-6.5633	-6.5633	4.7387	5.6701	6.8221	90.0	90.0	90.0
mp-1205283	box	-6.4523	-6.4523	10.4012	13.571	9.2511	90.0	90.0	90.0
A7--alpha-As	box	-6.2603	-6.2603	2.5131	2.5131	6.3019	90.0	90.0	120.0
oqmd-684315	box	-6.1444	-6.1444	10.2725	15.4593	9.4108	90.0	90.0	90.0
A3'--alpha-La--double-hcp	box	-6.1287	-6.1287	2.4469	2.4469	4.3316	90.0	90.0	120.0
mp-1095633	dynamic	-6.1087	-6.1087	6.7293	6.7293	6.6254	90.0	90.0	90.0
Ah--alpha-Po--sc	static	-6.0855	-6.0855	1.7874	1.7874	1.7874	90.0	90.0	90.0
A5--beta-Sn	box	-6.0713	-6.0713	3.441	3.441	1.8106	90.0	90.0	90.0
mp-1245190	box	-6.0652	-6.0652	10.7691	10.928	11.0842	88.1	89.8	87.3
mp-1203645	box	-6.0152	-6.0152	10.8717	5.0262	17.748	90.0	111.5	90.0
mp-1244964	box	-5.952	-5.952	10.742	11.0628	11.5295	90.5	95.1	93.1
A6--In--bct	static	-5.8883	-5.8883	1.6796	1.6796	5.4071	90.0	90.0	90.0
mp-1095534	box	-5.8187	-5.8187	10.6939	10.6939	2.3499	90.0	90.0	90.0
mp-1244913	box	-5.74	-5.74	11.2819	11.4335	11.8492	89.3	83.2	88.4
mp-1095633	box	-5.6722	-5.6722	6.4558	6.4558	8.0839	90.0	90.0	90.0
mp-1205417	box	-5.354	-5.354	13.1896	13.1896	7.6229	90.0	90.0	90.0
mp-1182692	box	-5.3295	-5.3295	9.0262	11.067	26.3232	82.0	83.0	66.3
A2--W--bcc	box	-5.3285	-5.3285	2.2637	2.2637	2.2637	90.0	90.0	90.0
mp-1197903	box	-5.2703	-5.2703	8.6704	11.4488	26.2794	100.4	94.2	108.0
A3--Mg--hcp	box	-5.2154	-5.2154	1.8733	1.8733	4.6758	90.0	90.0	120.0
A3--Mg--hcp	box	-5.0412	-5.0412	2.0684	2.0684	3.4018	90.0	90.0	120.0
A3'--alpha-La--double-hcp	box	-5.0396	-5.0396	2.071	2.071	6.7887	90.0	90.0	120.0
A1--Cu--fcc	box	-5.0379	-5.0379	2.9328	2.9328	2.9328	90.0	90.0	90.0
mp-1192619	box	-5.0217	-5.0217	10.1666	10.1666	10.1666	90.0	90.0	90.0
A15--beta-W	static	-4.9685	-4.9685	3.7219	3.7219	3.7219	90.0	90.0	90.0
oqmd-1214868	box	-4.4119	-4.4119	8.1298	8.1298	8.1298	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	box	-6.6382	-6.6382	2.957	2.957	6.6384	90.0	90.0	90.0
mp-1102811	dynamic	-6.384	-6.384	4.712	4.712	4.712	90.0	90.0	90.0
C1--CaF2--fluorite	dynamic	-6.3672	-6.3672	4.7523	4.7523	4.7523	90.0	90.0	90.0
mp-1102811	box	-6.3305	-6.3305	4.7335	4.7335	4.7335	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	static	-5.8625	-5.8625	3.9701	3.9701	3.9701	90.0	90.0	90.0
mp-972848	static	-5.8614	-5.8614	3.1865	3.1865	6.1085	90.0	90.0	90.0
D0_3--BiF3	static	-5.841	-5.841	4.8923	4.8923	4.8923	90.0	90.0	90.0
L1_2--AuCu3	static	-5.7588	-5.7588	3.1671	3.1671	3.1671	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	-3.8501	-3.8501	9.5583	9.5583	9.574	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	dynamic	-5.0046	-5.0046	5.2667	10.843	12.1499	66.0	84.4	85.3
mp-1202928	box	-2.9885	-2.9885	5.4159	14.0664	14.489	98.1	92.7	97.2

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
B3--ZnS--cubic-zinc-blende	dynamic	-6.3753	-6.3753	4.3595	4.3595	4.3595	90.0	90.0	90.0
mp-570641	dynamic	-6.372	-6.372	3.0706	3.0706	60.8651	90.0	90.0	120.0
mp-567505	dynamic	-6.372	-6.372	3.0706	3.0706	20.2884	90.0	90.0	120.0
mp-582034	dynamic	-6.3715	-6.3715	3.0692	3.0692	53.3032	90.0	90.0	120.0
mp-568696	dynamic	-6.3715	-6.3715	3.0692	3.0692	35.5357	90.0	90.0	120.0
mp-9947	dynamic	-6.3715	-6.3715	3.0692	3.0692	53.3038	90.0	90.0	120.0
mp-570804	dynamic	-6.3713	-6.3713	3.0683	3.0683	99.0437	90.0	90.0	120.0
mp-1204356	dynamic	-6.3712	-6.3712	3.068	3.068	144.7832	90.0	90.0	120.0
mp-7631	dynamic	-6.371	-6.371	3.0674	3.0674	15.2464	90.0	90.0	120.0
mp-571286	dynamic	-6.371	-6.371	3.0674	3.0674	91.4789	90.0	90.0	120.0
mp-1200168	dynamic	-6.3709	-6.3709	3.067	3.067	221.1305	90.0	90.0	120.0
mp-568619	dynamic	-6.3708	-6.3708	3.0672	3.0672	12.7079	90.0	90.0	120.0
mp-624397	dynamic	-6.3707	-6.3707	3.0663	3.0663	83.9124	90.0	90.0	120.0
mp-570985	dynamic	-6.3706	-6.3706	3.0661	3.0661	68.666	90.0	90.0	120.0
mp-567551	dynamic	-6.3706	-6.3706	3.0659	3.0659	40.695	90.0	90.0	120.0
mp-571298	dynamic	-6.3704	-6.3704	3.0652	3.0652	99.2368	90.0	90.0	120.0
mp-11713	dynamic	-6.3703	-6.3703	3.065	3.065	38.172	90.0	90.0	120.0
mp-1200848	dynamic	-6.3703	-6.3703	3.065	3.065	190.8605	90.0	90.0	120.0
mp-568656	dynamic	-6.3703	-6.3703	3.065	3.065	25.448	90.0	90.0	120.0
mp-570791	dynamic	-6.3701	-6.3701	3.0643	3.0643	48.3725	90.0	90.0	120.0
mp-567505	box	-6.37	-6.37	3.0755	3.0755	20.2153	90.0	90.0	120.0
mp-570690	dynamic	-6.3699	-6.3699	3.0635	3.0635	68.7725	90.0	90.0	120.0
mp-568735	dynamic	-6.3699	-6.3699	3.0635	3.0635	45.8484	90.0	90.0	120.0
mp-1197730	dynamic	-6.3696	-6.3696	3.0627	3.0627	129.9702	90.0	90.0	120.0
mp-11714	dynamic	-6.3694	-6.3694	3.0618	3.0618	10.1995	90.0	90.0	120.0
mp-570641	box	-6.3693	-6.3693	3.0772	3.0772	60.5744	90.0	90.0	120.0
mp-568696	box	-6.3693	-6.3693	3.0746	3.0746	35.3944	90.0	90.0	120.0
mp-582034	box	-6.3693	-6.3693	3.0747	3.0747	53.09	90.0	90.0	120.0
mp-9947	box	-6.3692	-6.3692	3.0748	3.0748	53.0835	90.0	90.0	120.0
mp-1204356	box	-6.3686	-6.3686	3.0738	3.0738	144.1732	90.0	90.0	120.0
mp-7631	box	-6.3683	-6.3683	3.0735	3.0735	15.1784	90.0	90.0	120.0
mp-571286	box	-6.3683	-6.3683	3.0735	3.0735	91.0698	90.0	90.0	120.0
mp-570804	box	-6.3682	-6.3682	3.0753	3.0753	98.543	90.0	90.0	120.0
mp-1200692	box	-6.368	-6.368	3.0729	3.0729	129.0619	90.0	90.0	120.0
mp-567551	box	-6.3676	-6.3676	3.0724	3.0724	40.5034	90.0	90.0	120.0
mp-570985	box	-6.3676	-6.3676	3.0726	3.0726	68.3395	90.0	90.0	120.0
mp-568619	box	-6.3674	-6.3674	3.0715	3.0715	12.6647	90.0	90.0	120.0
mp-568656	box	-6.3671	-6.3671	3.0718	3.0718	25.3229	90.0	90.0	120.0
mp-1200168	box	-6.3671	-6.3671	3.0747	3.0747	219.8865	90.0	90.0	120.0
mp-11713	box	-6.3669	-6.3669	3.0721	3.0721	37.9748	90.0	90.0	120.0
mp-571298	box	-6.3668	-6.3668	3.0717	3.0717	98.7625	90.0	90.0	120.0
mp-624397	box	-6.3666	-6.3666	3.0743	3.0743	83.4213	90.0	90.0	120.0
mp-570791	box	-6.3666	-6.3666	3.0716	3.0716	48.1183	90.0	90.0	120.0
mp-568735	box	-6.3663	-6.3663	3.0709	3.0709	45.6057	90.0	90.0	120.0
mp-1200848	box	-6.3656	-6.3656	3.0734	3.0734	189.6975	90.0	90.0	120.0
mp-1197730	box	-6.3654	-6.3654	3.0705	3.0705	129.2413	90.0	90.0	120.0
mp-11714	box	-6.3651	-6.3651	3.0698	3.0698	10.1405	90.0	90.0	120.0
mp-570690	box	-6.3649	-6.3649	3.0724	3.0724	68.3292	90.0	90.0	120.0
mp-7140	box	-6.3567	-6.3567	3.061	3.061	5.0971	90.0	90.0	120.0
L1_0--AuCu	dynamic	-5.5438	-5.5438	2.5037	2.5037	2.913	90.0	90.0	90.0
B1--NaCl--rock-salt	static	-5.539	-5.539	4.3137	4.3137	4.3137	90.0	90.0	90.0
B2--CsCl	dynamic	-5.4475	-5.4475	2.582	2.582	2.582	90.0	90.0	90.0
L1_0--AuCu	box	-5.0239	-5.0239	2.8131	2.8131	2.3698	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	-4.8869	-4.8869	4.8412	4.8412	4.8412	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	-4.6255	-4.6255	5.7884	5.7884	5.7884	90.0	90.0	90.0
L1_2--AuCu3	static	-4.2939	-4.2939	3.6986	3.6986	3.6986	90.0	90.0	90.0
A15--Cr3Si	box	-4.1328	-4.1328	4.6984	4.6984	4.6984	90.0	90.0	90.0
A15--Cr3Si	static	-1.3056	-1.3056	6.5161	6.5161	6.5161	90.0	90.0	90.0
L1_2--AuCu3	box	-0.8529	-0.8529	5.6037	5.6037	5.6037	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	-4.63	-4.63	5.4271	5.4271	5.4271	90.0	90.0	90.0
mp-165	box	-4.6247	-4.6247	3.8318	3.8318	6.3845	90.0	90.0	120.0
oqmd-22507	box	-4.6242	-4.6242	3.8363	6.631	6.3868	90.0	90.0	90.0
oqmd-717362	dynamic	-4.5841	-4.5841	14.6036	14.6036	14.6036	90.0	90.0	90.0
oqmd-717362	box	-4.5835	-4.5835	14.6054	14.6054	14.6054	90.0	90.0	90.0
mp-1203790	dynamic	-4.5803	-4.5803	10.3213	10.3213	16.8811	90.0	90.0	120.0
mp-1203790	box	-4.5796	-4.5796	10.3187	10.3187	16.8945	90.0	90.0	120.0
oqmd-717360	dynamic	-4.5611	-4.5611	10.139	10.139	10.139	90.0	90.0	90.0
mp-971662	box	-4.561	-4.561	10.1394	10.1394	10.1394	90.0	90.0	90.0
oqmd-717360	box	-4.561	-4.561	10.1396	10.1396	10.1396	90.0	90.0	90.0
mp-1196961	box	-4.5443	-4.5443	10.318	10.1152	17.5241	90.0	90.0	90.0
mp-1204627	dynamic	-4.5034	-4.5034	16.6743	12.7698	9.9003	90.0	90.0	90.0
mp-1204627	box	-4.4998	-4.4998	16.7066	12.7637	9.9163	90.0	90.0	90.0
mp-1120747	dynamic	-4.4931	-4.4931	5.7518	5.7518	3.5832	90.0	90.0	120.0
oqmd-22407	dynamic	-4.4627	-4.4627	6.5444	6.5444	3.8943	90.0	90.0	90.0
oqmd-22408	dynamic	-4.4622	-4.4622	13.8076	3.8559	6.3331	90.0	97.6	90.0
mp-1079297	box	-4.453	-4.453	13.8578	3.8409	6.3536	90.0	97.0	90.0
oqmd-22408	box	-4.4528	-4.4528	13.8619	3.8391	6.3546	90.0	97.0	90.0
oqmd-22407	box	-4.4378	-4.4378	6.6377	6.6377	3.8141	90.0	90.0	90.0
mp-999200	box	-4.4376	-4.4376	6.6382	6.6382	3.8136	90.0	90.0	90.0
mp-1199894	dynamic	-4.4336	-4.4336	25.2619	15.1046	9.8008	90.0	94.5	90.0
mp-1201492	dynamic	-4.4314	-4.4314	17.4899	17.4899	17.4899	90.0	90.0	90.0
mp-1200830	dynamic	-4.4294	-4.4294	12.358	12.358	12.358	90.0	90.0	90.0
mp-1201492	box	-4.4254	-4.4254	17.5027	17.5027	17.5027	90.0	90.0	90.0
mp-1199894	box	-4.4249	-4.4249	25.2873	15.1336	9.8119	90.0	94.3	90.0
mp-1200830	box	-4.4162	-4.4162	12.3838	12.3838	12.3838	90.0	90.0	90.0
mp-971661	dynamic	-4.3884	-4.3884	10.0344	10.0344	10.0344	90.0	90.0	90.0
mp-1095269	dynamic	-4.3812	-4.3812	3.8436	10.7047	12.7517	90.0	90.0	90.0
mp-971661	box	-4.3783	-4.3783	10.0406	10.0406	10.0406	90.0	90.0	90.0
mp-1095269	box	-4.3695	-4.3695	3.836	10.7546	12.7398	90.0	90.0	90.0
mp-1202745	dynamic	-4.3695	-4.3695	9.884	9.884	16.0823	90.0	90.0	120.0
mp-1202745	box	-4.3627	-4.3627	9.9038	9.9038	16.0326	90.0	90.0	120.0
mp-1204046	dynamic	-4.3335	-4.3335	10.0837	10.0837	24.0962	90.0	90.0	90.0
mp-1204046	box	-4.3167	-4.3167	10.1086	10.1086	24.1064	90.0	90.0	90.0
Ah--alpha-Po--sc	static	-4.2928	-4.2928	2.6208	2.6208	2.6208	90.0	90.0	90.0
A7--alpha-As	box	-4.2928	-4.2928	3.7063	3.7063	9.0786	90.0	90.0	120.0
A5--beta-Sn	dynamic	-4.2826	-4.2826	5.0362	5.0362	2.5954	90.0	90.0	90.0
mp-8629	box	-4.2765	-4.2765	5.0345	5.049	2.5924	90.0	90.0	90.0
mp-168	box	-4.2489	-4.2489	6.6361	6.6361	6.6361	90.0	90.0	90.0
oqmd-3484	box	-4.2476	-4.2476	6.637	6.637	6.637	90.0	90.0	90.0
A7--alpha-As	box	-4.2199	-4.2199	3.7523	3.7523	8.9666	90.0	90.0	120.0
oqmd-7479	box	-4.2105	-4.2105	5.0644	5.1211	2.5671	90.0	90.0	90.0
oqmd-1214748	box	-4.2052	-4.2052	4.8696	7.6954	3.8566	90.0	90.0	90.0
mp-1245041	dynamic	-4.179	-4.179	12.892	12.9132	13.0825	72.6	71.1	75.7
mp-1079649	box	-4.1678	-4.1678	8.177	5.158	6.0774	90.0	90.0	90.0
mp-1244990	dynamic	-4.1544	-4.1544	12.3018	12.3304	12.7743	101.9	102.9	100.1
A2--W--bcc	static	-4.1378	-4.1378	3.1381	3.1381	3.1381	90.0	90.0	90.0
mp-1245242	dynamic	-4.1319	-4.1319	12.3435	12.5991	12.6728	79.9	81.0	82.6
mp-571520	box	-4.1199	-4.1199	9.4628	9.4628	5.7314	90.0	90.0	120.0
oqmd-691764	box	-4.1133	-4.1133	2.704	2.704	7.4962	90.0	90.0	120.0
oqmd-18985	box	-4.1113	-4.1113	9.4339	9.4339	5.7566	90.0	90.0	120.0
oqmd-78174	dynamic	-4.1069	-4.1069	8.6441	5.4039	5.4261	90.0	90.0	90.0
A3--Mg--hcp	dynamic	-4.0684	-4.0684	2.8168	2.8168	4.5884	90.0	90.0	120.0
oqmd-1216087	dynamic	-4.0664	-4.0664	2.8165	2.8165	20.6636	90.0	90.0	120.0
oqmd-1216087	static	-4.0663	-4.0663	2.8166	2.8166	20.6623	90.0	90.0	120.0
mp-1094057	box	-4.0662	-4.0662	2.8165	2.8165	20.664	90.0	90.0	120.0
A3'--alpha-La--double-hcp	box	-4.0653	-4.0653	2.8164	2.8164	9.1871	90.0	90.0	120.0
A1--Cu--fcc	dynamic	-4.0623	-4.0623	3.9824	3.9824	3.9824	90.0	90.0	90.0
A6--In--bct	static	-4.06	-4.06	3.5741	3.5741	2.5684	90.0	90.0	90.0
oqmd-1214926	dynamic	-4.0583	-4.0583	7.0045	7.0045	7.0045	90.0	90.0	90.0
mp-1072544	dynamic	-4.0246	-4.0246	6.6574	6.6574	6.6574	90.0	90.0	90.0
oqmd-1214926	box	-4.0183	-4.0183	6.9616	6.9616	6.9616	90.0	90.0	90.0
mp-1244971	box	-3.958	-3.958	11.7043	12.8505	13.4444	98.0	96.2	100.6
oqmd-78173	box	-3.9562	-3.9562	4.9369	5.1502	11.2654	90.0	90.0	90.0
mp-1244933	box	-3.9539	-3.9539	12.3712	12.524	12.6739	78.9	78.2	74.4
mp-1245242	box	-3.9522	-3.9522	12.4058	12.723	12.7575	79.7	82.1	81.0
mp-16220	box	-3.9492	-3.9492	14.7434	14.7434	14.7434	90.0	90.0	90.0
oqmd-10215	box	-3.9478	-3.9478	14.7407	14.7407	14.7407	90.0	90.0	90.0
oqmd-1214837	dynamic	-3.9382	-3.9382	10.4239	10.4239	10.4239	90.0	90.0	90.0
oqmd-1214837	box	-3.929	-3.929	10.428	10.428	10.428	90.0	90.0	90.0
mp-1244990	box	-3.8984	-3.8984	12.2234	12.4748	12.7812	104.0	100.2	100.8
oqmd-51152	static	-3.8391	-3.8391	2.6796	2.6796	2.6796	90.0	90.0	120.0
oqmd-1215104	box	-3.8387	-3.8387	5.359	9.2826	2.6795	90.0	90.0	90.0
mp-1268191	box	-3.7249	-3.7249	6.9987	6.9987	2.6409	90.0	90.0	120.0
oqmd-717361	box	-3.7183	-3.7183	7.4487	7.4487	7.4487	90.0	90.0	90.0
mp-1120447	box	-3.6655	-3.6655	5.2666	5.4481	6.7611	71.7	71.4	84.3
oqmd-1215995	box	-3.5927	-3.5927	3.9106	3.9106	7.929	90.0	90.0	120.0
A15--beta-W	static	-3.5444	-3.5444	5.0766	5.0766	5.0766	90.0	90.0	90.0
mp-1120747	box	-3.4945	-3.4945	5.4275	5.4275	4.2752	90.0	90.0	120.0
mp-1245041	box	-3.1921	-3.1921	9.9724	10.5191	12.4118	77.8	75.7	72.8
oqmd-78174	box	-1.8105	-1.8105	4.8602	12.7154	5.0695	90.0	90.0	90.0
A15--beta-W	static	-1.7733	-1.7733	6.4796	6.4796	6.4796	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:

507.401	520.007	520.007	-0.0	0.0	0.0
520.007	507.401	520.007	0.0	-0.0	-0.0
520.007	520.007	507.401	0.0	0.0	-0.0
0.0	0.0	0.0	-72.453	-0.0	-0.0
0.0	0.0	0.0	-0.0	-72.453	-0.0
0.0	0.0	0.0	-0.0	-0.0	-72.453

318.73	586.073	586.073	0.0	0.0	0.0
586.073	318.73	586.073	0.0	-0.0	0.0
586.073	586.073	318.73	-0.0	-0.0	0.0
-2183004.499	-1095739.322	-2990495.907	-282713.326	-136698.208	578359.702
-926443.753	-756522.236	-1547312.731	803160.952	82003.425	278965.321
-1559119.107	-1740150.864	-1972072.588	242465.908	498286.322	44740.915

318.487	586.19	586.19	0.0	0.0	-0.0
586.19	318.487	586.19	-0.0	0.0	-0.0
586.19	586.19	318.487	-0.0	-0.0	0.0
983337.72	2036983.188	2631537.3	-137571.101	-473701.554	15923.702
1377120.133	2243623.504	528295.24	-711005.903	367814.081	-352969.544
986145.67	2190758.803	1348519.21	-807785.298	-91871.607	-268374.264

1457431.041	-14505066.925	-45096678.263	-1865463.226	-3743185.298	9657452.876
617.277	377.689	563.199	-0.0	-0.0	-0.0
563.199	563.199	401.21	-0.0	-0.0	-0.0
0.0	0.0	-0.0	-50.237	-0.0	-0.0
0.0	0.0	-0.0	-0.0	-50.237	0.0
100336090.989	27404159.756	-28289526.059	-38343.847	-4477293.984	-4244745.964

2889162.523	-1092934.706	-3321480.093	-589827.317	-256752.958	550556.602
3245065.404	1942091.679	-2841357.622	-52944.639	679596.93	148629.129
563.2	563.2	401.212	-0.0	-0.0	-0.0
0.0	0.0	-0.0	-50.237	-0.0	-0.0
0.0	0.0	-0.0	-0.0	-50.237	-0.0
9473047.146	2172965.289	-2900907.912	14947.279	592888.293	-484261.579

-4209144.434	-2471167.561	3426780.754	468344.845	29686.511	263393.939
552.299	442.663	563.197	-0.0	0.0	0.0
563.197	563.197	401.208	0.0	0.0	0.0
-0.0	-0.0	0.0	-50.237	-0.0	0.0
-0.0	-0.0	0.0	0.0	-50.237	-0.0
-9574579.317	-3210749.721	2104311.517	-77428.454	-79797.977	-429743.5

507.403	520.008	520.008	-0.0	-0.0	-0.0
520.008	507.403	520.008	0.0	-0.0	-0.0
520.008	520.008	507.403	-0.0	-0.0	-0.0
0.0	0.0	0.0	-72.453	-0.0	-0.0
0.0	0.0	0.0	-0.0	-72.453	-0.0
0.0	0.0	0.0	0.0	-0.0	-72.453

507.399	520.006	520.006	0.0	0.0	0.0
520.006	507.399	520.006	0.0	0.0	0.0
520.006	520.006	507.399	0.0	0.0	0.0
-0.0	-0.0	-0.0	-72.453	0.0	0.0
-0.0	-0.0	-0.0	0.0	-72.453	0.0
-0.0	-0.0	-0.0	0.0	0.0	-72.453

318.729	586.071	586.071	0.0	-0.0	0.0
586.071	318.729	586.071	0.0	0.0	-0.0
586.071	586.071	318.729	0.0	-0.0	-0.0
-0.0	-0.0	-0.0	-403.895	-0.0	-0.0
-0.0	-0.0	-0.0	-0.0	-403.895	0.0
-0.0	-0.0	-0.0	0.0	-0.0	-403.895

318.488	586.192	586.192	-0.0	-0.0	0.0
586.192	318.488	586.192	-0.0	-0.0	0.0
586.192	586.192	318.488	-0.0	0.0	0.0
-0.0	-0.0	-0.0	-403.895	0.0	-0.0
-0.0	-0.0	-0.0	-0.0	-403.895	0.0
-0.0	-0.0	-0.0	0.0	0.0	-403.895

2051.951	-201.955	-201.955	-0.0	-0.0	0.0
-201.955	2051.951	-201.955	-0.0	-0.0	0.0
-201.955	-201.955	2051.951	-0.0	-0.0	0.0
-0.0	0.0	-0.0	-273.64	-0.0	0.0
0.0	-0.0	-0.0	0.0	-273.64	0.0
0.0	-0.0	-0.0	-0.0	0.0	-273.64

2051.952	-201.955	-201.955	-0.0	-0.0	0.0
-201.955	2051.952	-201.955	0.0	-0.0	-0.0
-201.955	-201.955	2051.952	0.0	0.0	0.0
-0.0	0.0	0.0	-273.64	-0.0	0.0
0.0	-0.0	0.0	-0.0	-273.64	0.0
0.0	0.0	-0.0	0.0	-0.0	-273.64

2051.95	-201.955	-201.955	-0.0	-0.0	-0.0
-201.955	2051.95	-201.955	-0.0	0.0	-0.0
-201.955	-201.955	2051.95	-0.0	-0.0	-0.0
0.0	-0.0	-0.0	-273.64	0.0	-0.0
-0.0	0.0	-0.0	-0.0	-273.64	-0.0
-0.0	-0.0	0.0	-0.0	-0.0	-273.64

2051.964	-201.954	-201.954	-0.0	0.0	0.0
-201.954	2051.964	-201.954	0.0	-0.0	-0.0
-201.954	-201.954	2051.964	-0.0	-0.0	0.0
-0.003	0.002	0.0	-273.64	0.0	0.0
0.002	-0.003	0.0	0.0	-273.64	0.0
0.002	0.0	-0.003	0.0	0.0	-273.64

2051.938	-201.956	-201.956	-0.0	-0.0	-0.0
-201.956	2051.938	-201.956	-0.0	0.0	-0.0
-201.956	-201.956	2051.938	-0.0	0.0	-0.0
0.003	-0.002	-0.0	-273.64	0.0	-0.0
-0.002	0.003	-0.0	-0.0	-273.64	-0.0
-0.002	-0.0	0.003	-0.0	0.0	-273.64

441.99	547.249	563.669	0.0	-0.0	-0.0
547.249	441.99	563.669	0.0	-0.0	-0.0
563.669	563.669	410.029	0.0	-0.0	-0.0
0.0	0.0	0.0	-39.49	-0.0	-0.0
0.0	0.0	0.0	-0.0	-39.49	-0.0
0.0	0.0	0.0	0.0	-0.0	-82.291

-944206210.739	-144883506.747	259633330.628	-15068094.912	20780043.571	3097947.071
547.249	441.99	563.669	-0.0	0.0	0.0
563.669	563.669	410.029	0.0	0.0	0.0
-0.0	-0.0	-0.0	-39.49	0.0	0.0
-0.0	-0.0	-0.0	-0.0	-39.49	0.0
-0.0	-0.0	-0.0	-0.0	0.0	-82.291

441.992	547.251	563.671	0.0	-0.0	-0.0
547.25	441.992	563.671	0.0	-0.0	-0.0
563.671	563.671	410.031	0.0	-0.0	-0.0
0.0	0.0	-0.0	-39.49	0.0	-0.0
0.0	0.0	-0.0	0.0	-39.49	0.0
0.0	-0.0	0.0	0.0	-0.0	-52.629

-9123332.004	-2390878.666	3198372.58	-411624.49	-371726.444	46975.919
547.247	441.988	563.668	-0.0	-0.0	0.0
563.668	563.668	410.027	0.0	0.0	0.0
-0.0	-0.0	0.0	-39.49	-0.0	0.0
-0.0	-0.0	0.0	-0.0	-39.49	0.0
-0.0	0.0	-0.0	-0.0	0.0	-52.629

775.624	494.678	165.495	-0.0	0.0	0.0
602.405	667.897	165.495	-0.0	0.0	-0.0
165.496	165.496	1490.364	0.0	-0.0	0.0
0.0	0.0	-0.0	-17.251	0.0	-0.0
0.0	-0.0	-0.0	0.0	-17.251	0.0
0.0	0.0	-0.0	-0.0	0.0	32.746

667.894	602.406	165.496	0.0	-0.0	-0.0
602.404	667.896	165.496	0.0	-0.0	-0.0
165.496	165.496	1490.363	0.0	-0.0	0.0
-0.0	-0.0	0.0	-17.251	-0.0	-0.0
-0.0	-0.0	0.0	0.0	-17.251	-0.0
-0.0	-0.001	0.001	0.0	-0.0	32.746

775.626	494.678	165.497	-0.0	-0.0	0.0
602.408	667.907	165.492	-0.0	-0.0	0.0
165.494	165.494	1490.376	0.0	0.0	0.0
0.0	0.001	0.0	-17.251	0.0	-0.0
0.001	0.0	0.0	-0.0	-17.251	-0.0
0.004	0.007	-0.005	-0.0	-0.0	32.746

667.873	602.414	165.499	0.0	-0.0	-0.0
602.403	667.884	165.499	0.0	-0.0	-0.0
165.497	165.497	1490.352	0.0	-0.0	0.0
-0.0	-0.001	-0.0	-17.251	-0.0	0.0
-0.001	-0.0	-0.0	0.0	-17.251	-0.0
-0.004	-0.007	0.005	0.0	-0.0	32.746

663.968	776.96	100.791	0.0	-0.0	0.0
776.96	663.968	100.791	0.0	0.0	0.0
100.792	100.792	193.875	0.0	-0.0	0.0
0.0	0.0	-0.0	120.209	-0.0	-0.0
0.0	0.0	-0.0	0.0	120.209	0.0
-0.0	0.0	0.0	-0.0	0.0	-56.496

668.339	772.59	100.791	-0.0	0.0	-0.0
772.59	668.339	100.791	0.0	-0.0	0.0
100.792	100.792	193.875	0.0	-0.0	0.0
0.0	0.0	-0.0	120.209	-0.0	0.0
0.0	0.0	-0.0	-0.0	120.209	0.0
0.0	0.0	-0.0	-0.0	-0.0	-52.125

663.971	776.962	100.791	0.0	-0.0	0.0
772.592	668.342	100.791	-0.0	-0.0	-0.0
100.793	100.793	193.876	-0.0	0.0	0.0
0.0	0.0	-0.002	120.209	-0.0	0.0
0.0	0.0	-0.002	-0.0	120.209	0.0
0.0	0.0	-0.0	-0.0	0.0	-52.125

668.336	772.587	100.791	-0.0	-0.0	-0.0
772.587	668.336	100.791	-0.0	0.0	0.0
100.791	100.791	193.874	-0.0	0.0	-0.0
-0.0	-0.0	0.002	120.209	-0.0	-0.0
-0.0	-0.0	0.002	0.0	120.209	-0.0
-0.0	-0.0	0.0	0.0	-0.0	-52.125

442.665	552.301	563.198	-0.0	-0.0	0.0
369386609.424	201511915.034	-303659314.912	17021373.592	-20024745.999	49451779.459
563.198	563.198	401.21	0.0	-0.0	-0.0
0.0	0.0	-0.0	-50.237	0.0	-0.0
0.0	0.0	-0.0	-0.0	-50.237	-0.0
0.0	0.0	0.0	-0.0	-0.0	-119.794

641.553	346.131	346.131	0.0	0.0	0.0
346.131	641.553	346.131	0.0	0.0	0.0
346.131	346.131	641.553	0.0	0.0	0.0
0.0	0.0	0.0	458.099	0.0	0.0
0.0	0.0	0.0	0.0	458.099	0.0
0.0	0.0	0.0	0.0	0.0	458.099

641.554	346.132	346.132	0.0	0.0	0.0
346.132	641.554	346.132	0.0	0.0	0.0
346.132	346.132	641.554	0.0	0.0	0.0
0.0	0.0	0.001	458.099	0.0	0.0
0.0	0.0	0.001	0.0	458.099	0.0
0.0	0.001	0.0	0.0	0.0	458.099

641.552	346.13	346.13	-0.0	-0.0	-0.0
346.13	641.552	346.13	-0.0	-0.0	-0.0
346.13	346.13	641.552	-0.0	-0.0	-0.0
-0.0	-0.0	-0.001	458.099	-0.0	-0.0
-0.0	-0.0	-0.001	-0.0	458.099	-0.0
-0.0	-0.001	-0.0	-0.0	-0.0	458.099

679.029	517.5	457.151	-0.0	0.0	-0.0
517.5	679.029	457.151	-0.0	0.0	-0.0
457.152	457.15	742.634	-0.0	0.0	-0.0
0.001	-0.001	0.0	93.447	-0.0	-0.0
0.001	-0.001	0.0	0.0	93.447	-0.0
0.001	-0.001	-0.0	-0.0	0.0	123.051

679.028	517.5	457.151	0.0	-0.0	0.0
517.5	679.028	457.151	0.0	-0.0	0.0
457.151	457.151	742.633	-0.0	-0.0	0.0
-0.0	-0.0	-0.0	93.447	0.0	0.0
-0.0	-0.0	-0.0	0.0	93.447	0.0
-0.0	0.0	0.0	-0.0	-0.0	123.051

679.033	517.501	457.152	-0.0	0.0	-0.0
517.501	679.033	457.152	0.0	-0.0	-0.0
457.152	457.152	742.638	-0.0	0.0	-0.0
0.003	0.002	0.004	93.447	-0.0	-0.0
0.002	0.003	0.004	-0.0	93.447	-0.0
-0.0	-0.0	-0.0	-0.0	0.0	123.051

679.024	517.498	457.15	0.0	0.0	0.0
517.498	679.024	457.15	0.0	-0.0	0.0
457.15	457.15	742.629	0.0	-0.0	0.0
-0.003	-0.002	-0.004	93.447	-0.0	-0.0
-0.002	-0.003	-0.004	0.0	93.447	0.0
0.0	0.0	0.0	-0.0	-0.0	123.051

768.72	606.328	5.574	0.0	-0.0	-0.0
606.328	768.72	5.574	-0.0	-0.0	0.0
5.574	5.574	164.734	-0.0	-0.0	-0.0
0.0	0.0	-0.0	500.253	-0.0	-0.0
0.0	0.0	-0.0	-0.0	500.253	-0.0
-0.0	-0.0	-0.0	0.0	-0.0	128.393