× 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.

2018--Zhou-X-W-Foster-M-E-Sills-R-B--Fe-Ni-Cr

Citation: X.W. Zhou, M.E. Foster, and R.B. Sills (2018), "An Fe-Ni-Cr embedded atom method potential for austenitic and ferritic systems", Journal of Computational Chemistry, 39(29), 2420-2431. DOI: 10.1002/jcc.25573.

Abstract: Fe‐Ni‐Cr stainless‐steels are important structural materials because of their superior strength and corrosion resistance. Atomistic studies of mechanical properties of stainless‐steels, however, have been limited by the lack of high‐fidelity interatomic potentials. Here using density functional theory as a guide, we have developed a new Fe‐Ni‐Cr embedded atom method potential. We demonstrate that our potential enables stable molecular dynamics simulations of stainless‐steel alloys at high temperatures, accurately reproduces the stacking fault energy-known to strongly influence the mode of plastic deformation (e.g., twinning vs. dislocation glide vs. cross‐slip)-of these alloys over a range of compositions, and gives reasonable elastic constants, energies, and volumes for various compositions. The latter are pertinent for determining short‐range order and solute strengthening effects. Our results suggest that our potential is suitable for studying mechanical properties of austenitic and ferritic stainless‐steels which have vast implementation in the scientific and industrial communities. Published 2018. This article is a U.S. Government work and is in the public domain in the USA.

LAMMPS pair_style eam/alloy (2018--Zhou-X-W--Fe-Ni-Cr--LAMMPS--ipr1)

See Computed Properties
Notes: This file was provided by Xiaowang Zhou (Sandia National Laboratories) on 1 January 2019 and posted with his permission. The function tabulations are identical to 2018--Zhou-X-W--Fe-Ni-Cr--LAMMPS--ipr2 below, only the file format is different.
File(s):

FeNiCr.t

LAMMPS pair_style eam/fs (2018--Zhou-X-W--Fe-Ni-Cr--LAMMPS--ipr2)

See Computed Properties
Notes: This file was provided by Xiaowang Zhou (Sandia National Laboratories) on 1 January 2019 and posted with his permission. The function tabulations are identical to 2018--Zhou-X-W--Fe-Ni-Cr--LAMMPS--ipr1 above, only the file format is different.
File(s):

FeNiCr_fs.t

Implementation Information

This page displays computed properties for the 2018--Zhou-X-W--Fe-Ni-Cr--LAMMPS--ipr2 implementation of the 2018--Zhou-X-W-Foster-M-E-Sills-R-B--Fe-Ni-Cr 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

2018--Zhou-X-W--Fe-Ni-Cr--LAMMPS--ipr2/diatom

Click on plot to load interactive version

2018--Zhou-X-W--Fe-Ni-Cr--LAMMPS--ipr2/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

2018--Zhou-X-W--Fe-Ni-Cr--LAMMPS--ipr2/EvsR.Cr

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 = mp-8633, oqmd-592135, oqmd-1214518
A15--beta-W = mp-17, oqmd-620565, oqmd-691761, oqmd-1214963, oqmd-1280318
A2--W--bcc = mp-90, oqmd-676284, oqmd-676532, oqmd-677049, oqmd-685486, oqmd-690214, oqmd-691769, oqmd-1215141
A3'--alpha-La--double-hcp = oqmd-1215409
A3--Mg--hcp = mp-89, oqmd-592444, oqmd-622452, oqmd-1215319
A4--C--dc = oqmd-1215498
A5--beta-Sn = oqmd-1215587
A6--In--bct = oqmd-1215676
A7--alpha-As = oqmd-1215765

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
A2--W--bcc	dynamic	-4.0937	-4.0937	2.8846	2.8846	2.8846	90.0	90.0	90.0
A1--Cu--fcc	dynamic	-4.0902	-4.0902	3.6562	3.6562	3.6562	90.0	90.0	90.0
A3'--alpha-La--double-hcp	dynamic	-4.0853	-4.0853	2.5878	2.5878	8.3467	90.0	90.0	120.0
oqmd-1216032	dynamic	-4.0847	-4.0847	2.5891	2.5891	18.6968	90.0	90.0	120.0
A3--Mg--hcp	dynamic	-4.0837	-4.0837	2.5915	2.5915	4.1195	90.0	90.0	120.0
A3--Mg--hcp	box	-4.0837	-4.0837	2.5916	2.5916	4.1195	90.0	90.0	120.0
oqmd-1216032	box	-4.0834	-4.0834	2.5889	2.5889	18.7028	90.0	90.0	120.0
oqmd-1215230	box	-4.0495	-4.0495	2.5195	4.5803	4.16	90.0	90.0	90.0
mp-1059289	box	-4.0481	-4.0481	2.5185	4.5806	4.1619	90.0	90.0	90.0
oqmd-691775	box	-3.9949	-3.9949	2.5595	2.5595	6.4206	90.0	90.0	120.0
A15--beta-W	dynamic	-3.9902	-3.9902	4.6919	4.6919	4.6919	90.0	90.0	90.0
oqmd-1214785	box	-3.9693	-3.9693	8.9727	8.9727	8.9727	90.0	90.0	90.0
oqmd-1214874	dynamic	-3.9656	-3.9656	6.2732	6.2732	6.2732	90.0	90.0	90.0
oqmd-1214874	box	-3.9627	-3.9627	6.285	6.285	6.285	90.0	90.0	90.0
oqmd-631035	dynamic	-3.8875	-3.8875	8.7451	8.7451	4.7261	90.0	90.0	90.0
mp-1192789	box	-3.8677	-3.8677	8.8264	8.8264	4.7211	90.0	90.0	90.0
oqmd-631035	box	-3.8557	-3.8557	8.723	8.723	4.7281	90.0	90.0	90.0
oqmd-1214696	static	-3.8197	-3.8197	2.6688	4.1676	8.9608	90.0	90.0	90.0
oqmd-1214696	box	-3.8182	-3.8182	2.6773	4.1709	8.9672	90.0	90.0	90.0
oqmd-1215052	box	-3.6405	-3.6405	3.4574	8.8203	3.4599	90.0	90.0	90.0
A5--beta-Sn	static	-3.5779	-3.5779	4.6406	4.6406	2.4182	90.0	90.0	90.0
Ah--alpha-Po--sc	static	-3.3281	-3.3281	2.4205	2.4205	2.4205	90.0	90.0	90.0
A7--alpha-As	box	-3.3279	-3.3279	3.423	3.423	8.3859	90.0	90.0	120.0
A7--alpha-As	box	-2.8844	-2.8844	3.2998	3.2998	10.2677	90.0	90.0	120.0
A4--C--dc	static	-2.2543	-2.2543	5.4356	5.4356	5.4356	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-1077708	box	-4.1773	-4.1773	6.6379	6.6379	6.6379	90.0	90.0	90.0
C1--CaF2--fluorite	static	-3.276	-3.276	5.7701	5.7701	5.7701	90.0	90.0	90.0
oqmd-1232501	box	-2.5581	-2.5581	5.542	5.542	3.6172	90.0	90.0	90.0
oqmd-1240427	static	-1.3746	-1.3746	11.6446	11.6446	11.6446	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)
oqmd-426579	box	-4.0593	-4.0593	7.2391	7.2391	8.8498	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)
L2_1--AlCu2Mn--heusler	dynamic	-4.2835	-4.2835	5.8583	5.8583	5.8583	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-1077252	static	-4.078	-4.078	6.6576	6.6576	6.6576	90.0	90.0	90.0
C1--CaF2--fluorite	static	-3.5542	-3.5542	5.4447	5.4447	5.4447	90.0	90.0	90.0
oqmd-1232523	box	-2.9003	-2.9003	5.0921	5.0921	3.781	90.0	90.0	90.0
oqmd-1238640	static	-1.6578	-1.6578	11.6909	11.6909	11.6909	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)
oqmd-426601	box	-3.0998	-3.0998	7.7069	7.7069	11.6791	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)
oqmd-300442	dynamic	-4.2876	-4.2876	3.5738	3.5738	7.4418	90.0	90.0	90.0
A15--Cr3Si	dynamic	-4.2449	-4.2449	4.6577	4.6577	4.6577	90.0	90.0	90.0
L1_2--AuCu3	dynamic	-4.2434	-4.2434	3.6051	3.6051	3.6051	90.0	90.0	90.0
oqmd-318728	dynamic	-4.2371	-4.2371	5.0824	5.0824	4.2298	90.0	90.0	120.0
D0_3--BiF3	dynamic	-4.2362	-4.2362	5.8158	5.8158	5.8158	90.0	90.0	90.0
oqmd-318728	box	-4.2291	-4.2291	5.0832	5.0832	4.2367	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-1008284	dynamic	-4.3603	-4.3603	3.5666	3.5666	7.2227	90.0	90.0	90.0
L1_2--AuCu3	dynamic	-4.3316	-4.3316	3.5735	3.5735	3.5735	90.0	90.0	90.0
oqmd-320374	dynamic	-4.3254	-4.3254	5.0442	5.0442	4.1586	90.0	90.0	120.0
D0_3--BiF3	dynamic	-4.316	-4.316	5.736	5.736	5.736	90.0	90.0	90.0
oqmd-320374	box	-4.2877	-4.2877	5.0737	5.0737	4.1688	90.0	90.0	120.0
A15--Cr3Si	static	-4.2838	-4.2838	4.6047	4.6047	4.6047	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-1226243	static	-4.208	-4.208	2.89	4.0502	20.3061	90.0	90.0	90.0
mp-1226243	box	-4.2074	-4.2074	2.8907	4.0499	20.3018	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)
oqmd-1229015	box	-4.4136	-4.4136	2.5041	2.5041	4.1753	90.0	90.0	120.0
mp-1226211	static	-4.3788	-4.3788	2.9042	4.022	4.0735	90.0	90.0	90.0
L1_0--AuCu	dynamic	-4.369	-4.369	2.4359	2.4359	3.8635	90.0	90.0	90.0
oqmd-1219850	dynamic	-4.3531	-4.3531	4.2389	2.4278	4.5476	90.0	90.0	90.0
oqmd-1219850	box	-4.2728	-4.2728	4.3579	2.4678	4.5117	90.0	90.0	90.0
B2--CsCl	dynamic	-4.2329	-4.2329	2.9425	2.9425	2.9425	90.0	90.0	90.0
L1_0--AuCu	box	-4.2023	-4.2023	3.0125	3.0125	2.6998	90.0	90.0	90.0
B1--NaCl--rock-salt	static	-3.4754	-3.4754	4.8467	4.8467	4.8467	90.0	90.0	90.0
oqmd-1225529	box	-2.2707	-2.2707	4.0333	4.0333	6.491	90.0	90.0	120.0
B3--ZnS--cubic-zinc-blende	static	-2.2338	-2.2338	5.6879	5.6879	5.6879	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	-3.4254	-3.4254	5.7971	5.7971	5.7971	90.0	90.0	90.0
oqmd-1240426	static	-1.7441	-1.7441	11.5321	11.5321	11.5321	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)
L2_1--AlCu2Mn--heusler	dynamic	-4.2862	-4.2862	5.8788	5.8788	5.8788	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)
oqmd-297657	dynamic	-4.383	-4.383	3.5855	3.5855	7.4526	90.0	90.0	90.0
L1_2--AuCu3	dynamic	-4.3375	-4.3375	3.6158	3.6158	3.6158	90.0	90.0	90.0
oqmd-321526	dynamic	-4.3313	-4.3313	5.0988	5.0988	4.2393	90.0	90.0	120.0
oqmd-321526	box	-4.331	-4.331	5.0986	5.0986	4.2388	90.0	90.0	120.0
D0_3--BiF3	dynamic	-4.3297	-4.3297	5.8282	5.8282	5.8282	90.0	90.0	90.0
A15--Cr3Si	dynamic	-4.3289	-4.3289	4.6697	4.6697	4.6697	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-1226230	dynamic	-4.3325	-4.3325	2.8798	4.0565	20.5048	90.0	90.0	90.0
mp-1226230	box	-4.3315	-4.3315	2.8815	4.0545	20.5037	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)
oqmd-959986	static	-3.5991	-3.5991	5.5746	5.5746	5.5746	90.0	90.0	90.0
oqmd-835095	box	-3.5669	-3.5669	5.7885	5.7885	5.7885	90.0	90.0	90.0
oqmd-958168	static	-3.5201	-3.5201	5.7652	5.7652	5.7652	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)
L2_1--AlCu2Mn--heusler	static	-4.3145	-4.3145	5.8592	5.8592	5.8592	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-1226232	static	-4.443	-4.443	2.4867	2.4867	12.3548	90.0	90.0	120.0
L1_0--AuCu	dynamic	-4.4411	-4.4411	2.446	2.446	3.6534	90.0	90.0	90.0
oqmd-1229037	dynamic	-4.4313	-4.4313	2.4843	2.4843	4.0954	90.0	90.0	120.0
oqmd-1219872	dynamic	-4.4241	-4.4241	4.1775	2.4294	4.3992	90.0	90.0	90.0
oqmd-1219872	box	-4.4208	-4.4208	4.1779	2.4394	4.3775	90.0	90.0	90.0
B2--CsCl	dynamic	-4.3188	-4.3188	2.8976	2.8976	2.8976	90.0	90.0	90.0
B1--NaCl--rock-salt	static	-3.7357	-3.7357	4.7752	4.7752	4.7752	90.0	90.0	90.0
oqmd-1225551	box	-3.0194	-3.0194	4.266	4.266	4.9786	90.0	90.0	120.0
B3--ZnS--cubic-zinc-blende	static	-2.6842	-2.6842	5.4766	5.4766	5.4766	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-784631	dynamic	-4.4799	-4.4799	2.4442	3.6238	7.5581	90.0	90.0	90.0
mp-784631	box	-4.4793	-4.4793	2.4429	3.633	7.549	90.0	90.0	90.0
mp-1077077	dynamic	-4.361	-4.361	6.4202	6.4202	6.4202	90.0	90.0	90.0
C1--CaF2--fluorite	static	-3.7025	-3.7025	5.8053	5.8053	5.8053	90.0	90.0	90.0
oqmd-1238639	static	-2.574	-2.574	11.5813	11.5813	11.5813	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-1226338	dynamic	-4.4704	-4.4704	2.5017	2.5017	24.592	90.0	90.0	120.0
mp-1226338	box	-4.4701	-4.4701	2.5013	2.5013	24.6162	90.0	90.0	120.0
oqmd-299290	dynamic	-4.4593	-4.4593	3.5266	3.5266	7.2135	90.0	90.0	90.0
L1_2--AuCu3	dynamic	-4.4344	-4.4344	3.5399	3.5399	3.5399	90.0	90.0	90.0
A15--Cr3Si	dynamic	-4.4263	-4.4263	4.5434	4.5434	4.5434	90.0	90.0	90.0
oqmd-323628	dynamic	-4.4155	-4.4155	4.9883	4.9883	4.2511	90.0	90.0	120.0
oqmd-323628	box	-4.4148	-4.4148	4.987	4.987	4.2471	90.0	90.0	120.0
D0_3--BiF3	static	-4.3565	-4.3565	5.8522	5.8522	5.8522	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)
A2--W--bcc	dynamic	-4.2803	-4.2803	2.8667	2.8667	2.8667	90.0	90.0	90.0
A1--Cu--fcc	dynamic	-4.2802	-4.2802	3.633	3.633	3.633	90.0	90.0	90.0
A3--Mg--hcp	box	-4.2782	-4.2782	2.5699	2.5699	4.0931	90.0	90.0	120.0
oqmd-1216039	dynamic	-4.2775	-4.2775	2.5692	2.5692	18.5634	90.0	90.0	120.0
A3'--alpha-La--double-hcp	static	-4.2772	-4.2772	2.5689	2.5689	8.285	90.0	90.0	120.0
oqmd-1216039	box	-4.2769	-4.2769	2.5692	2.5692	18.5621	90.0	90.0	120.0
mp-1271693	box	-4.2748	-4.2748	2.5438	4.4946	4.0955	90.0	90.0	90.0
oqmd-1215237	box	-4.235	-4.235	2.4969	4.5468	4.1363	90.0	90.0	90.0
A15--beta-W	dynamic	-4.1561	-4.1561	4.6866	4.6866	4.6866	90.0	90.0	90.0
oqmd-1214792	dynamic	-4.1523	-4.1523	8.915	8.915	8.915	90.0	90.0	90.0
oqmd-1214881	dynamic	-4.1454	-4.1454	6.2446	6.2446	6.2446	90.0	90.0	90.0
oqmd-1214881	box	-4.1433	-4.1433	6.2418	6.2418	6.2418	90.0	90.0	90.0
oqmd-1214792	box	-4.1403	-4.1403	8.9195	8.9195	8.9195	90.0	90.0	90.0
mp-1245108	dynamic	-4.1121	-4.1121	10.532	10.6838	10.9772	84.8	88.8	89.9
oqmd-21053	dynamic	-4.0523	-4.0523	8.7468	8.7468	4.7215	90.0	90.0	90.0
mp-1194030	dynamic	-4.0523	-4.0523	8.747	8.747	4.7215	90.0	90.0	90.0
oqmd-21053	box	-4.0389	-4.0389	8.6865	8.6865	4.7193	90.0	90.0	90.0
mp-1194030	box	-4.0362	-4.0362	8.7083	8.7083	4.721	90.0	90.0	90.0
mp-1245108	box	-4.02	-4.02	10.6826	10.7256	11.0019	91.7	90.7	91.6
oqmd-1215059	box	-3.9753	-3.9753	2.6397	4.1688	8.9604	90.0	90.0	90.0
mp-1096950	box	-3.7463	-3.7463	2.5141	2.5141	2.4162	90.0	90.0	120.0
A5--beta-Sn	static	-3.7046	-3.7046	4.6583	4.6583	2.4276	90.0	90.0	90.0
Ah--alpha-Po--sc	static	-3.4492	-3.4492	2.441	2.441	2.441	90.0	90.0	90.0
oqmd-21731	box	-3.4492	-3.4492	2.441	2.441	7.3233	90.0	90.0	90.0
A7--alpha-As	box	-2.9872	-2.9872	3.2852	3.2852	10.616	90.0	90.0	120.0
oqmd-1215950	box	-2.9107	-2.9107	4.1016	4.5592	4.1235	90.0	119.5	90.0
A4--C--dc	static	-2.3814	-2.3814	5.5109	5.5109	5.5109	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-1224697	box	-4.3203	-4.3203	2.5494	2.5494	6.2843	90.0	90.0	120.0
mp-1077745	static	-4.0271	-4.0271	6.8047	6.8047	6.8047	90.0	90.0	90.0
C1--CaF2--fluorite	static	-3.5052	-3.5052	5.5129	5.5129	5.5129	90.0	90.0	90.0
oqmd-1232964	box	-2.8795	-2.8795	5.422	5.422	3.3904	90.0	90.0	90.0
oqmd-1236414	box	-1.5704	-1.5704	11.4305	11.4305	11.4305	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)
oqmd-427042	box	-3.7972	-3.7972	6.2724	6.2724	12.2494	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-1224827	static	-4.3172	-4.3172	2.5547	2.5547	25.1848	90.0	90.0	120.0
mp-1224827	box	-4.3168	-4.3168	2.5547	2.5547	25.1669	90.0	90.0	120.0
oqmd-301533	dynamic	-4.2891	-4.2891	3.6231	3.6231	7.3484	90.0	90.0	90.0
mp-1224780	static	-4.2837	-4.2837	2.8701	4.0805	8.2328	90.0	90.0	90.0
mp-1224780	box	-4.2825	-4.2825	2.8769	4.0717	8.2049	90.0	90.0	90.0
L1_2--AuCu3	dynamic	-4.2704	-4.2704	3.6337	3.6337	3.6337	90.0	90.0	90.0
oqmd-319063	dynamic	-4.2583	-4.2583	5.129	5.129	4.2187	90.0	90.0	120.0
oqmd-319063	box	-4.2554	-4.2554	5.129	5.129	4.215	90.0	90.0	120.0
D0_3--BiF3	dynamic	-4.2461	-4.2461	5.809	5.809	5.809	90.0	90.0	90.0
A15--Cr3Si	dynamic	-4.2257	-4.2257	4.6906	4.6906	4.6906	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-1225009	dynamic	-4.3041	-4.3041	2.4979	2.4979	18.7681	90.0	90.0	90.0
mp-1225009	box	-4.2978	-4.2978	2.5004	2.5004	18.7187	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-1224976	static	-4.3758	-4.3758	2.5205	2.5205	12.6794	90.0	90.0	120.0
oqmd-1229478	dynamic	-4.3599	-4.3599	2.5162	2.5162	4.2379	90.0	90.0	120.0
mp-1224965	static	-4.3246	-4.3246	2.5851	4.3021	4.3339	90.0	90.0	90.0
L1_0--AuCu	dynamic	-4.3175	-4.3175	2.4739	2.4739	3.796	90.0	90.0	90.0
oqmd-1220313	dynamic	-4.3006	-4.3006	4.2561	2.4617	4.5126	90.0	90.0	90.0
oqmd-1220313	box	-4.2736	-4.2736	4.2767	2.5014	4.4319	90.0	90.0	90.0
B2--CsCl	dynamic	-4.195	-4.195	2.9257	2.9257	2.9257	90.0	90.0	90.0
B1--NaCl--rock-salt	static	-3.6555	-3.6555	4.8162	4.8162	4.8162	90.0	90.0	90.0
oqmd-1225992	box	-2.9363	-2.9363	4.1938	4.1938	4.9323	90.0	90.0	120.0
B3--ZnS--cubic-zinc-blende	static	-2.6519	-2.6519	5.3398	5.3398	5.3398	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-1072076	dynamic	-4.3106	-4.3106	6.5087	6.5087	6.5087	90.0	90.0	90.0
C1--CaF2--fluorite	box	-3.5915	-3.5915	5.6613	5.6613	5.6613	90.0	90.0	90.0
oqmd-1236413	static	-2.1703	-2.1703	10.9581	10.9581	10.9581	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-1225078	dynamic	-4.4102	-4.4102	2.5117	2.5117	24.6633	90.0	90.0	120.0
mp-1225078	box	-4.4079	-4.4079	2.5111	2.5111	24.7312	90.0	90.0	120.0
mp-1007855	dynamic	-4.3678	-4.3678	3.5372	3.5372	7.2414	90.0	90.0	90.0
L1_2--AuCu3	dynamic	-4.3553	-4.3553	3.554	3.554	3.554	90.0	90.0	90.0
mp-1079337	dynamic	-4.3398	-4.3398	4.2497	4.9775	4.3722	90.0	90.0	90.0
mp-1079337	box	-4.3374	-4.3374	4.2481	4.9945	4.3629	90.0	90.0	90.0
oqmd-322617	dynamic	-4.328	-4.328	4.9952	4.9952	4.2539	90.0	90.0	120.0
oqmd-322617	box	-4.3279	-4.3279	4.995	4.995	4.2521	90.0	90.0	120.0
A15--Cr3Si	dynamic	-4.327	-4.327	4.5554	4.5554	4.5554	90.0	90.0	90.0
D0_3--BiF3	static	-4.253	-4.253	5.8078	5.8078	5.8078	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)
A1--Cu--fcc	dynamic	-4.4321	-4.4321	3.524	3.524	3.524	90.0	90.0	90.0
A3'--alpha-La--double-hcp	dynamic	-4.4113	-4.4113	2.4868	2.4868	8.1882	90.0	90.0	120.0
A3--Mg--hcp	dynamic	-4.3925	-4.3925	2.4789	2.4789	4.1776	90.0	90.0	120.0
oqmd-1215262	box	-4.3919	-4.3919	2.4719	4.3056	4.1785	90.0	90.0	90.0
A15--beta-W	dynamic	-4.3703	-4.3703	4.5152	4.5152	4.5152	90.0	90.0	90.0
oqmd-1214817	dynamic	-4.3361	-4.3361	8.75	8.75	8.75	90.0	90.0	90.0
oqmd-1214817	box	-4.3357	-4.3357	8.7537	8.7537	8.7537	90.0	90.0	90.0
oqmd-1214906	dynamic	-4.3278	-4.3278	6.1267	6.1267	6.1267	90.0	90.0	90.0
oqmd-1214906	box	-4.3246	-4.3246	6.1219	6.1219	6.1219	90.0	90.0	90.0
A2--W--bcc	static	-4.305	-4.305	2.7481	2.7481	2.7481	90.0	90.0	90.0
oqmd-1215084	box	-4.208	-4.208	2.5093	4.3198	9.0518	90.0	90.0	90.0
oqmd-1214728	static	-4.18	-4.18	2.4355	2.4355	8.1491	90.0	90.0	90.0
oqmd-1214728	box	-4.1654	-4.1654	2.4673	2.4673	8.0567	90.0	90.0	90.0
A5--beta-Sn	static	-4.0464	-4.0464	4.5849	4.5849	2.5073	90.0	90.0	90.0
Ah--alpha-Po--sc	static	-3.9887	-3.9887	2.3839	2.3839	2.3839	90.0	90.0	90.0
mp-1014111	dynamic	-3.695	-3.695	2.484	2.484	13.2874	89.1	89.0	60.0
mp-1014111	static	-3.695	-3.695	2.484	2.484	14.1476	89.1	88.9	60.0
mp-1014111	box	-3.695	-3.695	2.484	2.484	14.148	89.1	88.9	60.0
oqmd-1215975	box	-3.6193	-3.6193	3.8876	3.8876	4.2954	90.0	90.0	120.0
mp-1094136	box	-3.54	-3.54	2.4746	4.2861	15.4132	90.0	90.0	90.0
A4--C--dc	static	-3.2754	-3.2754	5.103	5.103	5.103	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:

230.756	160.578	160.578	0.0	0.0	-0.0
160.578	230.756	160.578	0.0	0.0	-0.0
160.578	160.578	230.756	0.0	0.0	0.0
0.0	0.0	0.0	117.628	0.0	-0.0
0.0	0.0	0.0	0.0	117.628	-0.0
0.0	0.0	0.0	0.0	0.0	117.628

230.758	160.581	160.581	0.0	0.0	0.0
160.581	230.758	160.581	0.0	0.0	0.0
160.581	160.581	230.758	0.0	0.0	0.0
-0.0	-0.0	0.0	117.628	0.0	-0.0
-0.0	-0.0	0.0	0.0	117.628	0.0
-0.0	0.0	-0.0	0.0	0.0	117.628

230.754	160.576	160.576	-0.0	-0.0	-0.0
160.576	230.754	160.576	-0.0	-0.0	0.0
160.576	160.576	230.754	-0.0	-0.0	-0.0
0.0	0.0	-0.0	117.628	-0.0	0.0
0.0	0.0	-0.0	-0.0	117.628	0.0
0.0	-0.0	0.0	-0.0	-0.0	117.628

396.557	99.094	99.094	0.0	0.0	0.0
99.094	396.557	99.094	0.0	0.0	0.0
99.094	99.094	396.557	0.0	0.0	0.0
-0.0	-0.0	0.0	60.507	-0.0	0.0
-0.0	-0.0	-0.0	0.0	60.507	0.0
-0.0	-0.0	0.0	-0.0	-0.0	60.507

396.479	99.133	99.133	-0.0	-0.0	-0.0
99.133	396.479	99.133	-0.0	-0.0	-0.0
99.133	99.133	396.479	-0.0	0.0	-0.0
0.0	0.0	-0.0	60.507	-0.0	-0.0
0.0	0.0	-0.0	0.0	60.507	-0.0
0.0	0.0	-0.0	-0.0	0.0	60.507

396.558	99.094	99.094	0.0	-0.0	-0.0
99.094	396.558	99.094	-0.0	-0.0	-0.0
99.094	99.094	396.558	-0.0	-0.0	-0.0
0.0	0.0	0.0	60.204	-0.0	-0.0
0.0	0.0	0.0	-0.0	60.204	-0.0
0.0	0.0	0.0	-0.0	-0.0	60.204

396.48	99.133	99.133	-0.0	-0.0	-0.0
99.133	396.48	99.133	-0.0	0.0	-0.0
99.133	99.133	396.48	0.0	-0.0	-0.0
0.0	0.001	0.001	60.204	0.0	-0.0
0.001	0.0	0.001	-0.0	60.204	-0.0
0.001	0.001	0.0	-0.0	-0.0	60.204

427.602	181.944	181.944	-0.0	-0.0	-0.0
181.944	427.602	181.944	0.0	-0.0	0.0
181.944	181.944	427.602	-0.0	-0.0	-0.0
0.0	0.0	0.0	132.932	0.0	-0.0
0.0	0.0	0.0	-0.0	132.932	0.0
0.0	0.0	0.0	-0.0	-0.0	132.932

427.601	181.944	181.944	0.0	-0.0	-0.0
181.944	427.601	181.944	0.0	-0.0	-0.0
181.944	181.944	427.601	-0.0	-0.0	0.0
0.0	0.0	0.0	132.932	-0.0	-0.0
0.0	0.0	0.0	0.0	132.932	-0.0
0.0	0.0	0.0	0.0	-0.0	132.932

427.603	181.944	181.944	-0.0	0.0	0.0
181.944	427.603	181.944	-0.0	0.0	0.0
181.944	181.944	427.603	-0.0	0.0	0.0
-0.0	-0.0	-0.0	132.932	0.0	-0.0
-0.0	-0.0	-0.0	0.0	132.932	0.0
-0.0	-0.0	-0.0	-0.0	0.0	132.932

427.595	181.945	181.945	0.0	-0.0	0.0
181.945	427.595	181.945	-0.0	-0.0	0.0
181.945	181.945	427.595	0.0	-0.0	-0.0
0.0	0.0	0.0	132.932	-0.0	-0.0
0.0	0.0	0.0	0.0	132.932	-0.0
0.0	0.0	0.0	0.0	-0.0	132.932

427.609	181.944	181.944	-0.0	0.0	0.0
181.944	427.609	181.944	-0.0	0.0	0.0
181.944	181.944	427.609	-0.0	-0.0	0.0
-0.0	-0.0	-0.0	132.932	0.0	0.0
-0.0	-0.0	-0.0	-0.0	132.932	0.0
-0.0	-0.0	-0.0	-0.0	0.0	132.932

316.502	134.565	107.563	-0.0	0.0	-0.0
134.565	316.502	107.563	-0.0	0.0	-0.0
107.563	107.563	310.43	-0.0	-0.0	-0.0
-0.0	-0.0	0.0	62.703	0.0	-0.0
-0.0	-0.0	0.0	-0.0	62.703	-0.0
-0.0	0.0	0.0	-0.0	0.0	90.969

287.736	163.332	107.563	0.0	0.0	0.0
134.565	316.502	107.563	0.0	-0.0	0.0
107.563	107.563	310.43	0.0	0.0	0.0
0.0	0.0	-0.0	62.703	0.0	0.0
0.0	0.0	-0.0	0.0	62.703	0.0
0.0	-0.0	-0.0	0.0	0.0	90.969

287.735	163.331	107.563	0.0	0.0	0.0
163.331	287.735	107.563	0.0	0.0	0.0
107.562	107.562	310.428	0.0	0.0	0.0
-0.0	0.0	-0.0	62.703	0.0	0.0
0.0	0.0	-0.0	0.0	62.703	0.0
0.0	-0.0	-0.0	0.0	-0.0	90.969

323.528	137.264	122.158	0.0	-0.0	0.0
137.264	323.528	122.158	0.0	-0.0	-0.0
122.158	122.158	343.408	-0.0	-0.0	-0.0
0.0	-0.0	0.0	75.296	-0.0	0.0
0.0	-0.0	0.0	0.0	75.296	-0.0
-0.0	-0.0	-0.0	0.0	-0.0	59.077

289.473	171.319	122.158	0.0	0.0	0.0
171.319	289.473	122.158	-0.0	0.0	-0.0
122.158	122.158	343.408	0.0	-0.0	0.0
0.0	-0.0	-0.0	75.296	0.0	-0.0
-0.0	0.0	-0.0	-0.0	75.296	0.0
0.0	-0.0	0.0	-0.0	0.0	59.077

289.474	171.319	122.158	0.0	-0.0	0.0
171.32	289.474	122.158	0.0	-0.0	-0.0
122.159	122.159	343.411	-0.0	-0.0	-0.0
0.0	-0.0	0.001	75.296	-0.0	-0.0
-0.0	0.0	0.001	-0.0	75.296	-0.0
-0.0	0.0	0.0	0.0	-0.0	93.132

289.472	171.319	122.157	-0.0	0.0	0.0
171.318	289.473	122.157	-0.0	0.0	0.0
122.157	122.157	343.405	0.0	0.0	0.0
-0.0	0.0	-0.001	75.296	0.0	-0.0
0.0	-0.0	-0.001	0.0	75.296	0.0
0.0	-0.0	-0.0	-0.0	0.0	93.132

289.42	171.268	122.113	0.0	0.0	0.0
137.215	323.473	122.113	0.0	0.0	0.0
122.108	122.108	343.296	0.0	0.0	-0.0
-0.0	0.0	0.0	75.288	0.0	-0.0
-0.0	0.0	0.0	0.0	75.288	-0.0
-0.0	0.0	-0.0	0.0	0.0	93.129

289.421	171.269	122.114	0.0	0.0	0.0
137.216	323.473	122.114	-0.0	0.0	0.0
122.11	122.11	343.299	0.0	0.0	0.0
0.0	-0.0	0.001	75.288	0.0	-0.0
-0.0	0.0	0.001	0.0	75.288	0.0
-0.0	0.0	0.0	0.0	0.0	93.129

289.419	171.268	122.113	-0.0	-0.0	-0.0
171.267	289.419	122.113	-0.0	-0.0	-0.0
122.107	122.107	343.293	-0.0	-0.0	-0.0
-0.0	0.0	-0.001	75.288	-0.0	-0.0
0.0	-0.0	-0.001	-0.0	75.288	0.0
0.0	-0.0	-0.0	-0.0	-0.0	93.129

54.467	82.955	82.955	-0.0	-0.0	0.0
82.955	54.467	82.955	-0.0	-0.0	0.0
82.955	82.955	54.467	-0.0	-0.0	0.0
0.0	-0.0	0.0	-43.809	0.0	0.0
0.0	-0.0	0.0	0.0	-43.809	0.0
0.0	-0.0	0.0	-0.0	0.0	-43.809

54.467	82.954	82.954	0.0	0.0	-0.0
82.954	54.467	82.954	0.0	0.0	-0.0
82.954	82.954	54.467	0.0	-0.0	-0.0
0.0	0.0	0.0	-43.809	0.0	-0.0
0.0	0.0	0.0	0.0	-43.809	-0.0
0.0	0.0	0.0	0.0	-0.0	-43.809

539.25	-20.434	109.679	0.0	-0.0	0.0
-20.434	539.25	109.679	0.0	-0.0	0.0
109.679	109.679	512.778	0.0	0.0	0.0
-0.0	0.0	0.0	69.08	0.0	0.0
0.0	0.0	0.0	0.0	69.08	0.0
0.0	-0.0	0.0	-0.0	-0.0	-57.195

539.25	-20.434	109.678	0.0	0.0	-0.0
-20.434	539.25	109.678	-0.0	0.0	-0.0
109.678	109.678	512.777	-0.0	0.0	-0.0
-0.0	-0.0	-0.0	69.089	-0.0	-0.0
-0.0	-0.0	-0.0	-0.0	69.089	0.0
0.0	0.0	-0.0	-0.0	0.0	-57.195

539.252	-20.433	109.68	0.0	0.0	0.0
-20.433	539.252	109.68	-0.0	-0.0	0.0
109.68	109.68	512.783	-0.0	-0.0	0.0
0.0	0.001	0.0	69.08	0.0	0.0
0.001	0.0	0.0	0.0	69.08	0.0
-0.0	-0.0	0.0	0.0	0.0	-57.195

539.248	-20.434	109.677	0.0	0.0	-0.0
-20.434	539.248	109.677	-0.0	-0.0	-0.0
109.677	109.677	512.773	-0.0	-0.0	0.0
-0.0	-0.001	-0.0	69.08	-0.0	0.0
-0.001	-0.0	-0.0	-0.0	69.08	-0.0
0.0	0.0	-0.0	-0.0	-0.0	-57.195

35.414	10.056	79.192	-47.067	-0.0	0.0
10.056	35.414	79.192	47.067	0.0	0.0
69.768	69.768	54.844	0.0	0.0	0.0
-47.067	47.067	0.0	58.601	0.0	-0.0
0.0	0.0	0.0	-0.0	58.601	-47.067
0.0	0.0	0.0	0.0	-47.067	12.679

164.644	81.389	159.1	-109.822	0.0	0.0
81.389	164.644	159.1	109.822	0.0	0.0
159.088	159.088	87.109	-0.0	0.0	0.0
-109.822	109.822	-0.0	119.31	0.0	0.0
-0.0	-0.0	0.0	0.0	119.31	-109.822
-0.0	-0.0	-0.0	0.0	-109.822	41.628

164.644	81.389	159.101	-109.822	0.0	0.0
81.389	164.645	159.101	109.822	0.0	0.0
159.088	159.088	87.109	0.0	0.0	0.0
-109.821	109.822	0.0	119.311	0.0	0.0
0.0	0.0	0.0	-0.0	119.31	-109.822
0.0	-0.0	0.0	-0.0	-109.822	41.627