× 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--Dickel-D-E-Baskes-M-I-Aslam-I-Barrett-C-D--Mg-Al-Zn

Citation: D.E. Dickel, M.I. Baskes, I. Aslam, and C.D. Barrett (2018), "New interatomic potential for Mg-Al-Zn alloys with specific application to dilute Mg-based alloys", Modelling and Simulation in Materials Science and Engineering, 26(4), 045010. DOI: 10.1088/1361-651x/aabaad.

Abstract: Because of its very large c/a ratio, zinc has proven to be a difficult element to model using semi-empirical classical potentials. It has been shown, in particular, that for the modified embedded atom method (MEAM), a potential cannot simultaneously have an hcp ground state and c/a ratio greater than ideal. As an alloying element, however, useful zinc potentials can be generated by relaxing the condition that hcp be the lowest energy structure. In this paper, we present a MEAM zinc potential, which gives accurate material properties for the pure state, as well as a MEAM ternary potential for the Mg-Al-Zn system which will allow the atomistic modeling of a wide class of alloys containing zinc. The effects of zinc in simple Mg-Zn for this potential is demonstrated and these results verify the accuracy for the new potential in these systems.

LAMMPS pair_style meam (2018--Dickel-D-E--Mg-Al-Zn--LAMMPS--ipr1)

See Computed Properties
Notes: These files were submitted by Doyl Dickel on May 17, 2018.
File(s):

MgAlZn.library.meam
MgAlZn.parameter.meam

Implementation Information

This page displays computed properties for the 2018--Dickel-D-E--Mg-Al-Zn--LAMMPS--ipr1 implementation of the 2018--Dickel-D-E-Baskes-M-I-Aslam-I-Barrett-C-D--Mg-Al-Zn potential. Computed values for other implementations can be seen by clicking on the links below:

2018--Dickel-D-E--Mg-Al-Zn--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

2018--Dickel-D-E--Mg-Al-Zn--LAMMPS--ipr1/diatom

Click on plot to load interactive version

2018--Dickel-D-E--Mg-Al-Zn--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

2018--Dickel-D-E--Mg-Al-Zn--LAMMPS--ipr1/EvsR.Al

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-134, oqmd-8100, oqmd-1214503
A15--beta-W = oqmd-1214948, oqmd-1280406
A2--W--bcc = mp-998860, oqmd-1215126
A3'--alpha-La--double-hcp = mp-1183144, oqmd-1215394
A3--Mg--hcp = oqmd-1215215, oqmd-1215304
A4--C--dc = oqmd-1215483
A5--beta-Sn = oqmd-1215572
A6--In--bct = oqmd-1215661

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	-3.36	-3.36	4.05	4.05	4.05	90.0	90.0	90.0
A3'--alpha-La--double-hcp	static	-3.3443	-3.3443	2.8483	2.8483	9.4878	90.0	90.0	120.0
oqmd-1216017	static	-3.3395	-3.3395	2.8441	2.8441	21.4361	90.0	90.0	120.0
A3--Mg--hcp	dynamic	-3.3303	-3.3303	2.8365	2.8365	4.7997	90.0	90.0	120.0
mp-1245152	dynamic	-3.2619	-3.2619	11.922	12.0438	12.1773	90.7	90.3	98.8
mp-1245129	dynamic	-3.2604	-3.2604	11.6763	12.0318	12.4963	88.4	86.9	80.8
mp-1244953	dynamic	-3.259	-3.259	11.891	12.2503	12.3185	77.6	84.8	83.1
oqmd-1215037	box	-3.257	-3.257	2.7261	4.8551	10.4396	90.0	90.0	90.0
mp-1245067	dynamic	-3.2563	-3.2563	11.5882	12.0521	12.6553	95.1	92.8	100.1
mp-1245307	dynamic	-3.2543	-3.2543	11.9394	11.9423	12.2585	89.3	88.9	84.0
oqmd-1214859	dynamic	-3.2494	-3.2494	7.0048	7.0048	7.0048	90.0	90.0	90.0
oqmd-1214859	box	-3.2468	-3.2468	7.0088	7.0088	7.0088	90.0	90.0	90.0
A2--W--bcc	static	-3.2341	-3.2341	3.2245	3.2245	3.2245	90.0	90.0	90.0
oqmd-1214770	box	-3.2227	-3.2227	9.975	9.975	9.975	90.0	90.0	90.0
A5--beta-Sn	static	-3.2143	-3.2143	5.1425	5.1425	2.6351	90.0	90.0	90.0
mp-1244953	box	-3.2129	-3.2129	11.9757	12.0894	12.2878	86.0	80.3	86.7
mp-1245129	box	-3.2107	-3.2107	11.7167	12.0394	12.4642	93.5	91.6	96.6
Ah--alpha-Po--sc	dynamic	-3.2099	-3.2099	2.6157	2.6157	2.6157	90.0	90.0	90.0
mp-1245152	box	-3.2081	-3.2081	11.8967	12.1092	12.2116	91.8	91.6	95.8
mp-1245307	box	-3.1975	-3.1975	11.9958	12.1395	12.144	90.3	92.6	94.3
A15--beta-W	static	-3.1946	-3.1946	5.1699	5.1699	5.1699	90.0	90.0	90.0
mp-1245067	box	-3.1869	-3.1869	11.9364	12.2519	12.2895	92.7	98.1	93.8
mp-1239196	box	-2.8413	-2.8413	3.6891	3.6891	14.3627	90.0	90.0	90.0
oqmd-1215928	box	-2.6614	-2.6614	4.5911	4.5911	4.8854	90.0	90.0	120.0
A4--C--dc	dynamic	-2.4049	-2.4049	6.3188	6.3188	6.3188	90.0	90.0	90.0
A2--W--bcc	static	-0.3161	-0.3161	5.9943	5.9943	5.9943	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-1185781	dynamic	-2.3429	-2.3429	10.4448	14.7135	9.0638	90.0	125.0	90.0
mp-1185781	box	-2.3389	-2.3389	10.4361	14.7377	9.0628	90.0	124.8	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-1094700	dynamic	-2.3491	-2.3491	10.51	14.8678	9.0915	90.0	125.3	90.0
oqmd-31414	box	-2.3457	-2.3457	10.5186	14.8799	9.078	90.0	125.2	90.0
mp-1094700	box	-2.3456	-2.3456	10.5111	14.8675	9.0895	90.0	125.1	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-1185720	dynamic	-2.427	-2.427	10.5709	10.5709	10.5709	90.0	90.0	90.0
mp-1185719	dynamic	-2.4239	-2.4239	14.8545	14.8545	9.1916	90.0	90.0	120.0
mp-1185720	box	-2.4157	-2.4157	10.5519	10.5519	10.5519	90.0	90.0	90.0
mp-1185721	dynamic	-2.4077	-2.4077	10.4865	14.4171	8.9955	90.0	123.3	90.0
mp-1185719	box	-2.3995	-2.3995	14.7243	14.7243	9.1429	90.0	90.0	120.0
mp-1185721	box	-2.3922	-2.3922	10.4293	14.5358	9.0315	90.0	123.6	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-2151	dynamic	-2.425	-2.425	10.4687	10.4687	10.4687	90.0	90.0	90.0
oqmd-4367	box	-2.4221	-2.4221	10.4718	10.4718	10.4718	90.0	90.0	90.0
mp-2151	box	-2.4217	-2.4217	10.4758	10.4758	10.4758	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-1094685	dynamic	-2.4887	-2.4887	10.4301	14.6875	9.0468	90.0	125.0	90.0
oqmd-31546	box	-2.4857	-2.4857	10.434	14.6963	9.0394	90.0	124.9	90.0
mp-1094685	box	-2.4852	-2.4852	10.4175	14.7481	9.0344	90.0	125.0	90.0
mp-1094692	dynamic	-2.4766	-2.4766	14.6169	14.6169	9.2548	90.0	90.0	120.0
oqmd-31630	box	-2.4718	-2.4718	14.6706	14.6706	9.1916	90.0	90.0	120.0
mp-1094692	box	-2.4682	-2.4682	14.7322	14.7322	9.096	90.0	90.0	120.0
oqmd-31462	dynamic	-2.4542	-2.4542	10.4497	10.4497	10.4497	90.0	90.0	90.0
mp-1094683	box	-2.4532	-2.4532	10.4539	10.4539	10.4539	90.0	90.0	90.0
oqmd-31462	box	-2.4515	-2.4515	10.4609	10.4609	10.4609	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-19371	box	-2.5411	-2.5411	10.1043	10.1043	10.1043	90.0	90.0	90.0
mp-12766	box	-2.5408	-2.5408	10.1076	10.1076	10.1076	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-27873	static	-2.6089	-2.6089	10.3821	10.3821	10.3821	90.0	90.0	90.0
mp-1194114	box	-2.604	-2.604	10.3724	10.3724	10.3724	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-1094116	box	-2.9066	-2.9066	5.4686	5.4686	8.7821	90.0	90.0	120.0
oqmd-27874	dynamic	-2.8601	-2.8601	4.1663	4.1663	25.1637	90.0	90.0	90.0
mp-1102064	box	-2.8596	-2.8596	4.1668	4.1668	25.1896	90.0	90.0	90.0
oqmd-27874	box	-2.8594	-2.8594	4.1646	4.1646	25.1695	90.0	90.0	90.0
mp-1222013	dynamic	-2.7792	-2.7792	2.9821	2.9821	7.1388	90.0	90.0	120.0
mp-1222013	box	-2.7756	-2.7756	2.9886	2.9886	7.148	90.0	90.0	120.0
C1--CaF2--fluorite	box	-2.6012	-2.6012	6.3496	6.3496	6.3496	90.0	90.0	90.0
mp-1039192	box	-2.1155	-2.1155	5.4933	5.4933	5.0548	90.0	90.0	90.0
C1--CaF2--fluorite	box	0.195	0.195	13.6546	13.6546	13.6546	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	-2.2343	-2.2343	6.4984	6.4984	6.4984	90.0	90.0	90.0
L2_1--AlCu2Mn--heusler	box	-2.0238	-2.0238	8.9302	8.9302	8.9302	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	static	-2.2247	-2.2247	9.3879	9.3879	9.3879	90.0	90.0	90.0
C1--CaF2--fluorite	static	-2.022	-2.022	6.8704	6.8704	6.8704	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-10496	dynamic	-2.72	-2.72	12.7592	12.7592	21.5423	90.0	90.0	120.0
mp-17659	box	-2.7184	-2.7184	12.7739	12.7739	21.5153	90.0	90.0	120.0
oqmd-10496	box	-2.7182	-2.7182	12.7722	12.7722	21.5217	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)
L1_2--AuCu3	dynamic	-3.0064	-3.0064	4.1374	4.1374	4.1374	90.0	90.0	90.0
mp-1038916	dynamic	-3.0047	-3.0047	4.1326	4.1326	8.3006	90.0	90.0	90.0
mp-1039119	box	-2.9985	-2.9985	5.8504	5.8504	4.81	90.0	90.0	120.0
D0_3--BiF3	box	-2.9201	-2.9201	6.5675	6.5675	6.5675	90.0	90.0	90.0
A15--Cr3Si	box	-2.8377	-2.8377	5.2923	5.2923	5.2923	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-1210739	box	-2.6436	-2.6436	6.4958	6.4958	18.9339	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-751547	box	-2.416	-2.416	8.0394	8.0394	4.9344	90.0	90.0	120.0
oqmd-751535	box	-2.3725	-2.3725	8.0449	8.0449	4.95	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)
L1_2--AuCu3	dynamic	-2.8413	-2.8413	4.0389	4.0389	4.0389	90.0	90.0	90.0
L1_2--AuCu3	box	-2.7962	-2.7962	5.4751	5.4751	5.4751	90.0	90.0	90.0
A15--Cr3Si	static	-2.7632	-2.7632	5.0494	5.0494	5.0494	90.0	90.0	90.0
A15--Cr3Si	static	-2.7448	-2.7448	7.1476	7.1476	7.1476	90.0	90.0	90.0
D0_3--BiF3	box	-2.6961	-2.6961	6.2987	6.2987	6.2987	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-1204993	box	-1.7046	-1.7046	14.2421	10.104	19.0032	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-1189454	box	-2.2381	-2.2381	5.0922	5.0922	14.4626	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-568106	dynamic	-2.7534	-2.7534	12.6007	12.6007	12.6007	90.0	90.0	90.0
oqmd-19370	box	-2.753	-2.753	12.6013	12.6013	12.6013	90.0	90.0	90.0
mp-568106	box	-2.7518	-2.7518	12.6019	12.6019	12.6019	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-1094987	dynamic	-2.5784	-2.5784	4.8941	3.0411	5.1663	90.0	90.0	90.0
mp-1094987	box	-2.5772	-2.5772	4.8864	3.0427	5.1765	90.0	90.0	90.0
oqmd-751545	dynamic	-2.5746	-2.5746	5.2784	4.8901	5.96	90.0	90.0	90.0
oqmd-751545	box	-2.5731	-2.5731	5.2779	4.8836	5.9713	90.0	90.0	90.0
L1_0--AuCu	dynamic	-2.5725	-2.5725	3.0399	3.0399	4.1541	90.0	90.0	90.0
oqmd-751536	dynamic	-2.5399	-2.5399	4.8894	9.1054	5.1968	90.0	90.0	90.0
oqmd-751536	box	-2.5393	-2.5393	4.8885	9.0884	5.2088	90.0	90.0	90.0
oqmd-751553	dynamic	-2.5384	-2.5384	4.8902	11.9968	5.2591	90.0	90.0	90.0
oqmd-751558	dynamic	-2.5376	-2.5376	4.8951	9.0761	5.2054	90.0	90.0	90.0
oqmd-751553	box	-2.5364	-2.5364	4.8931	12.0175	5.2478	90.0	90.0	90.0
oqmd-751558	box	-2.5362	-2.5362	4.8873	9.1008	5.2023	90.0	90.0	90.0
oqmd-751539	box	-2.5347	-2.5347	5.1925	4.9001	8.0192	90.0	108.9	90.0
oqmd-751538	dynamic	-2.5303	-2.5303	4.9091	12.0754	5.2107	90.0	90.0	90.0
oqmd-751538	box	-2.5299	-2.5299	4.9098	12.0627	5.2119	90.0	90.0	90.0
oqmd-751537	dynamic	-2.5273	-2.5273	4.91	6.01	10.477	90.0	90.0	90.0
B2--CsCl	static	-2.527	-2.527	3.3618	3.3618	3.3618	90.0	90.0	90.0
oqmd-751537	box	-2.5258	-2.5258	4.9028	6.0122	10.5017	90.0	90.0	90.0
oqmd-751552	dynamic	-2.5248	-2.5248	6.1073	5.1476	4.9094	90.0	90.0	90.0
oqmd-751552	box	-2.5232	-2.5232	6.0539	5.1768	4.9193	90.0	90.0	90.0
oqmd-751532	dynamic	-2.5152	-2.5152	6.0796	15.4704	4.9179	90.0	90.0	90.0
oqmd-751562	dynamic	-2.5143	-2.5143	4.8923	6.1006	5.1779	90.0	90.0	90.0
oqmd-751532	box	-2.5142	-2.5142	6.0752	15.4695	4.9201	90.0	90.0	90.0
oqmd-751562	box	-2.5141	-2.5141	4.8951	6.0905	5.1816	90.0	90.0	90.0
oqmd-751534	box	-2.5129	-2.5129	6.0783	4.9229	7.8935	90.0	101.1	90.0
oqmd-751544	box	-2.5054	-2.5054	6.0202	6.0202	4.9058	90.0	90.0	120.0
oqmd-751561	dynamic	-2.505	-2.505	6.0279	4.9205	7.959	90.0	100.7	90.0
oqmd-751540	dynamic	-2.5044	-2.5044	6.0356	4.9264	7.9482	90.0	100.9	90.0
mp-1039019	dynamic	-2.5042	-2.5042	3.0352	3.0352	4.8127	90.0	90.0	120.0
oqmd-751540	box	-2.5037	-2.5037	6.0353	4.9267	7.9486	90.0	100.9	90.0
oqmd-751561	box	-2.5036	-2.5036	6.0249	4.9204	7.9717	90.0	100.7	90.0
mp-1038779	box	-2.5033	-2.5033	3.0321	3.0321	14.4602	90.0	90.0	120.0
oqmd-751546	dynamic	-2.4802	-2.4802	3.0298	4.9242	10.4151	90.0	90.0	90.0
oqmd-751546	box	-2.4792	-2.4792	3.0276	4.925	10.4409	90.0	90.0	90.0
B1--NaCl--rock-salt	box	-2.1785	-2.1785	5.6183	5.6183	5.6183	90.0	90.0	90.0
mp-1094664	box	-2.02	-2.02	4.8052	4.8052	5.4866	90.0	90.0	120.0
B3--ZnS--cubic-zinc-blende	static	-1.6414	-1.6414	6.2411	6.2411	6.2411	90.0	90.0	90.0
B2--CsCl	box	-0.1596	-0.1596	6.8592	6.8592	6.8592	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)
oqmd-31714	dynamic	-1.5242	-1.5242	15.9706	15.9706	15.5519	90.0	90.0	120.0
oqmd-31714	box	-1.5242	-1.5242	15.9706	15.9706	15.5516	90.0	90.0	120.0
mp-1185596	box	-1.5242	-1.5242	15.9706	15.9706	15.5515	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-1028202	dynamic	-1.641	-1.641	10.1332	6.4657	10.7559	90.0	90.0	90.0
mp-1028202	box	-1.6398	-1.6398	10.1166	6.4814	10.7578	90.0	90.0	90.0
mp-1028199	box	-1.635	-1.635	6.2739	6.2739	10.1902	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-1023506	box	-1.646	-1.646	6.346	6.346	10.2938	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-751543	dynamic	-2.2377	-2.2377	9.3266	5.2675	4.9787	90.0	90.0	90.0
oqmd-751543	box	-2.2366	-2.2366	9.2791	5.2913	4.9828	90.0	90.0	90.0
oqmd-751533	dynamic	-2.2147	-2.2147	4.9878	9.2541	5.3001	90.0	90.0	90.0
oqmd-751533	box	-2.2139	-2.2139	4.9899	9.2698	5.2875	90.0	90.0	90.0
oqmd-751549	dynamic	-2.2132	-2.2132	3.0909	15.8868	4.9874	90.0	90.0	90.0
oqmd-751556	dynamic	-2.2122	-2.2122	5.3473	5.3473	4.9382	90.0	90.0	120.0
oqmd-751556	box	-2.2122	-2.2122	5.3478	5.3478	4.9373	90.0	90.0	120.0
oqmd-751549	box	-2.2121	-2.2121	3.083	15.9313	4.9872	90.0	90.0	90.0
oqmd-751557	box	-2.1907	-2.1907	8.1227	5.001	12.2965	90.0	100.9	90.0
C1--CaF2--fluorite	dynamic	-2.099	-2.099	6.5909	6.5909	6.5909	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	-2.0458	-2.0458	6.5727	6.5727	6.5727	90.0	90.0	90.0
L2_1--AlCu2Mn--heusler	box	-0.134	-0.134	13.7217	13.7217	13.7217	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-1094970	dynamic	-2.0776	-2.0776	6.2104	6.2104	5.0273	90.0	90.0	120.0
mp-1094970	box	-2.0775	-2.0775	6.2116	6.2116	5.0257	90.0	90.0	120.0
oqmd-751563	dynamic	-2.0753	-2.0753	5.0281	6.1891	5.3971	90.0	90.0	90.0
oqmd-751563	box	-2.0735	-2.0735	5.0194	6.1932	5.4048	90.0	90.0	90.0
L1_2--AuCu3	dynamic	-2.068	-2.068	4.3791	4.3791	4.3791	90.0	90.0	90.0
oqmd-300451	dynamic	-2.0665	-2.0665	4.371	4.371	8.7974	90.0	90.0	90.0
A15--Cr3Si	dynamic	-2.0521	-2.0521	5.5148	5.5148	5.5148	90.0	90.0	90.0
mp-1016233	dynamic	-2.0413	-2.0413	3.1209	5.0111	5.3627	90.0	90.0	90.0
mp-1016233	box	-2.041	-2.041	3.1203	5.0158	5.3574	90.0	90.0	90.0
D0_3--BiF3	dynamic	-2.0259	-2.0259	6.9154	6.9154	6.9154	90.0	90.0	90.0
A15--Cr3Si	box	-0.1829	-0.1829	10.6852	10.6852	10.6852	90.0	90.0	90.0
L1_2--AuCu3	box	-0.1386	-0.1386	8.4404	8.4404	8.4404	90.0	90.0	90.0
D0_3--BiF3	box	-0.0777	-0.0777	13.7762	13.7762	13.7762	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-751548	dynamic	-1.8798	-1.8798	5.4365	5.4365	5.0696	90.0	90.0	120.0
oqmd-751548	box	-1.8798	-1.8798	5.4362	5.4362	5.07	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-1023485	dynamic	-1.7861	-1.7861	5.1139	6.1019	10.9214	90.0	90.0	90.0
mp-1023483	dynamic	-1.7782	-1.7782	4.9455	6.5162	10.4852	90.0	90.0	90.0
mp-1023483	box	-1.7779	-1.7779	4.9455	6.5197	10.4886	90.0	90.0	90.0
mp-1023485	box	-1.7673	-1.7673	5.1481	6.059	10.7451	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-1016271	box	-1.7837	-1.7837	6.2987	6.2987	5.1083	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	static	-1.7052	-1.7052	9.3086	9.3086	9.3086	90.0	90.0	90.0
L2_1--AlCu2Mn--heusler	dynamic	-1.6918	-1.6918	6.4769	6.4769	6.4769	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_0--AuCu	dynamic	-3.2326	-3.2326	3.6158	3.6158	6.4854	90.0	90.0	90.0
B2--CsCl	static	-2.9758	-2.9758	4.8824	4.8824	4.8824	90.0	90.0	90.0
B1--NaCl--rock-salt	box	-2.3578	-2.3578	8.4841	8.4841	8.4841	90.0	90.0	90.0
B2--CsCl	static	-2.1486	-2.1486	3.2257	3.2257	3.2257	90.0	90.0	90.0
B1--NaCl--rock-salt	static	-1.8428	-1.8428	5.4195	5.4195	5.4195	90.0	90.0	90.0
B3--ZnS--cubic-zinc-blende	static	-1.7244	-1.7244	9.4898	9.4898	9.4898	90.0	90.0	90.0
B3--ZnS--cubic-zinc-blende	dynamic	-1.4151	-1.4151	6.6322	6.6322	6.6322	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	static	-2.1053	-2.1053	9.7349	9.7349	9.7349	90.0	90.0	90.0
C1--CaF2--fluorite	static	-1.4386	-1.4386	6.5471	6.5471	6.5471	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	box	-2.2598	-2.2598	5.9303	5.9303	5.9303	90.0	90.0	90.0
A15--Cr3Si	static	-2.2463	-2.2463	7.618	7.618	7.618	90.0	90.0	90.0
L1_2--AuCu3	dynamic	-1.8201	-1.8201	3.9642	3.9642	3.9642	90.0	90.0	90.0
D0_3--BiF3	static	-1.6646	-1.6646	9.5939	9.5939	9.5939	90.0	90.0	90.0
D0_3--BiF3	box	-1.5764	-1.5764	6.2992	6.2992	6.2992	90.0	90.0	90.0
A15--Cr3Si	static	-1.3999	-1.3999	5.2135	5.2135	5.2135	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)
A3--Mg--hcp	dynamic	-1.5096	-1.5096	3.1966	3.1966	5.1882	90.0	90.0	120.0
oqmd-1215254	box	-1.5094	-1.5094	3.1906	5.5466	5.1888	90.0	90.0	90.0
mp-1094122	box	-1.5075	-1.5075	3.1947	3.1947	23.3811	90.0	90.0	120.0
oqmd-1216059	static	-1.5075	-1.5075	3.1947	3.1947	23.3804	90.0	90.0	120.0
A3'--alpha-La--double-hcp	dynamic	-1.5064	-1.5064	3.1937	3.1937	10.3992	90.0	90.0	120.0
A1--Cu--fcc	dynamic	-1.5033	-1.5033	4.5126	4.5126	4.5126	90.0	90.0	90.0
oqmd-1214898	box	-1.474	-1.474	7.7538	7.7538	7.7538	90.0	90.0	90.0
oqmd-1214809	dynamic	-1.4737	-1.4737	11.0179	11.0179	11.0179	90.0	90.0	90.0
A15--beta-W	dynamic	-1.472	-1.472	5.682	5.682	5.682	90.0	90.0	90.0
oqmd-1214809	box	-1.4717	-1.4717	11.0214	11.0214	11.0214	90.0	90.0	90.0
A2--W--bcc	dynamic	-1.4709	-1.4709	3.5633	3.5633	3.5633	90.0	90.0	90.0
mp-1247180	box	-1.3356	-1.3356	5.1398	3.3684	14.9309	90.0	90.2	90.0
oqmd-1215076	box	-1.3254	-1.3254	3.267	5.3203	11.388	90.0	90.0	90.0
oqmd-1214720	box	-1.3253	-1.3253	3.2656	5.3211	11.389	90.0	90.0	90.0
mp-1055956	static	-1.2176	-1.2176	3.1424	3.1424	3.0956	90.0	90.0	120.0
A5--beta-Sn	static	-1.1835	-1.1835	5.8338	5.8338	3.0906	90.0	90.0	90.0
Ah--alpha-Po--sc	static	-1.0487	-1.0487	3.0916	3.0916	3.0916	90.0	90.0	90.0
oqmd-1215967	box	-0.9516	-0.9516	5.153	5.153	5.6481	90.0	90.0	120.0
A7--alpha-As	box	-0.9286	-0.9286	4.2524	4.2524	12.5201	90.0	90.0	120.0
A4--C--dc	static	-0.7224	-0.7224	6.9837	6.9837	6.9837	90.0	90.0	90.0
Ah--alpha-Po--sc	static	-0.4802	-0.4802	4.2359	4.2359	4.2359	90.0	90.0	90.0
A15--beta-W	box	-0.1464	-0.1464	9.7491	9.7491	9.7491	90.0	90.0	90.0
A1--Cu--fcc	box	-0.0861	-0.0861	8.438	8.438	8.438	90.0	90.0	90.0
A3'--alpha-La--double-hcp	box	-0.0834	-0.0834	5.9677	5.9677	19.4805	90.0	90.0	120.0
A3--Mg--hcp	box	-0.0805	-0.0805	5.9689	5.9689	9.7371	90.0	90.0	120.0
A15--beta-W	box	-0.015	-0.015	10.5938	10.5938	10.5938	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-1185642	dynamic	-1.5082	-1.5082	15.9633	15.9633	15.5481	90.0	90.0	120.0
mp-1185642	box	-1.5081	-1.5081	15.9635	15.9635	15.5479	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-1023616	box	-1.4959	-1.4959	6.3219	6.3219	10.2698	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-570025	dynamic	-1.5147	-1.5147	25.3478	25.3478	8.6108	90.0	90.0	120.0
mp-570025	box	-1.5092	-1.5092	25.3398	25.3398	8.6302	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-1094503	box	-1.485	-1.485	10.9102	3.0643	7.0865	90.0	107.1	90.0
mp-1094422	box	-1.4848	-1.4848	3.0515	15.3066	4.8857	90.0	90.0	90.0
mp-1094458	box	-1.4846	-1.4846	11.386	3.0642	6.8719	90.0	106.6	90.0
mp-1094438	box	-1.4809	-1.4809	3.0805	3.0805	14.3019	90.0	90.0	120.0
mp-1094421	dynamic	-1.4759	-1.4759	5.2523	5.2523	14.4527	90.0	90.0	120.0
mp-1094421	box	-1.4756	-1.4756	5.2507	5.2507	14.4665	90.0	90.0	120.0
mp-1094448	box	-1.4755	-1.4755	5.2561	5.2561	4.7951	90.0	90.0	120.0
mp-1094431	box	-1.4746	-1.4746	3.08	3.08	14.2549	90.0	90.0	120.0
mp-1094469	dynamic	-1.4699	-1.4699	3.0723	15.1862	4.9849	90.0	90.0	90.0
mp-1094455	box	-1.4697	-1.4697	10.9609	3.0857	7.0469	90.0	104.1	90.0
mp-1094465	dynamic	-1.465	-1.465	4.7926	3.0905	15.6673	90.0	90.0	90.0
mp-1094469	box	-1.465	-1.465	3.0803	15.1092	4.9906	90.0	90.0	90.0
mp-1094440	dynamic	-1.4647	-1.4647	3.0562	15.1073	4.8837	90.0	90.0	90.0
mp-1094465	box	-1.4638	-1.4638	4.8057	3.0885	15.6337	90.0	90.0	90.0
mp-1094440	box	-1.4633	-1.4633	3.0565	15.1989	4.8537	90.0	90.0	90.0
mp-1094468	box	-1.4632	-1.4632	8.9055	5.0949	5.8966	90.0	122.5	90.0
mp-1094489	box	-1.4618	-1.4618	11.0064	3.0639	7.1718	90.0	108.0	90.0
mp-1094437	dynamic	-1.4571	-1.4571	8.9314	5.1239	4.897	90.0	90.0	90.0
mp-1094437	box	-1.4547	-1.4547	9.0333	5.1112	4.8617	90.0	90.0	90.0
mp-1094480	box	-1.4113	-1.4113	3.0815	3.0815	14.7963	90.0	90.0	120.0
C1--CaF2--fluorite	dynamic	-1.3059	-1.3059	6.576	6.576	6.576	90.0	90.0	90.0
C1--CaF2--fluorite	box	-0.0488	-0.0488	13.7528	13.7528	13.7528	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-30784	box	-1.3008	-1.3008	8.6909	8.6909	8.6909	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)
mp-1094427	dynamic	-1.482	-1.482	3.1197	9.8453	5.2157	90.0	90.0	90.0
mp-1094427	box	-1.4811	-1.4811	3.1129	9.8568	5.2242	90.0	90.0	90.0
mp-1094789	box	-1.4802	-1.4802	3.11	3.11	9.7317	90.0	90.0	120.0
mp-1016243	dynamic	-1.4771	-1.4771	3.1196	4.9203	5.2272	90.0	90.0	90.0
mp-1016243	box	-1.4768	-1.4768	3.1166	4.9267	5.2265	90.0	90.0	90.0
L1_2--AuCu3	dynamic	-1.4701	-1.4701	4.2988	4.2988	4.2988	90.0	90.0	90.0
mp-1094433	dynamic	-1.4676	-1.4676	4.3289	4.3289	8.4297	90.0	90.0	90.0
mp-1094451	box	-1.4628	-1.4628	6.0895	6.0895	4.921	90.0	90.0	120.0
A15--Cr3Si	dynamic	-1.4593	-1.4593	5.3866	5.3866	5.3866	90.0	90.0	90.0
D0_3--BiF3	dynamic	-1.373	-1.373	6.8543	6.8543	6.8543	90.0	90.0	90.0
A15--Cr3Si	box	-0.1166	-0.1166	10.7199	10.7199	10.7199	90.0	90.0	90.0
A15--Cr3Si	static	-0.1117	-0.1117	9.746	9.746	9.746	90.0	90.0	90.0
A15--Cr3Si	box	-0.1019	-0.1019	9.6804	9.6804	9.6804	90.0	90.0	90.0
L1_2--AuCu3	box	-0.0666	-0.0666	8.4468	8.4468	8.4468	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-680671	box	-1.4994	-1.4994	5.2128	13.0806	14.1047	102.4	90.1	101.5

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
mp-1094450	box	-1.488	-1.488	3.1384	3.1384	14.9439	90.0	90.0	120.0
mp-1094434	dynamic	-1.4831	-1.4831	5.0244	3.1455	15.9417	90.0	90.0	90.0
mp-1094473	box	-1.483	-1.483	5.3618	5.3618	5.0358	90.0	90.0	120.0
mp-1094459	box	-1.4824	-1.4824	11.3862	3.1421	7.3037	90.0	105.5	90.0
mp-1094434	box	-1.4822	-1.4822	5.0235	3.1444	15.9471	90.0	90.0	90.0
mp-1094425	box	-1.4821	-1.4821	5.3624	5.3624	15.1227	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-1016279	box	-1.4863	-1.4863	6.2463	6.2463	5.0796	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)
L1_0--AuCu	dynamic	-1.5302	-1.5302	3.0439	3.0439	3.6682	90.0	90.0	90.0
B2--CsCl	dynamic	-1.5264	-1.5264	3.2168	3.2168	3.2168	90.0	90.0	90.0
mp-583266	box	-1.5198	-1.5198	5.352	16.7463	9.2693	90.0	90.0	90.0
mp-1094477	static	-1.5147	-1.5147	3.0304	3.0304	13.4938	90.0	90.0	120.0
mp-1094505	box	-1.5018	-1.5018	10.0558	3.016	4.7975	90.0	108.6	90.0
mp-1094782	dynamic	-1.4902	-1.4902	3.0158	3.0158	4.5691	90.0	90.0	120.0
mp-978268	dynamic	-1.4841	-1.4841	4.6809	2.9476	4.9393	90.0	90.0	90.0
mp-978268	box	-1.4829	-1.4829	4.6732	2.9587	4.9305	90.0	90.0	90.0
mp-1094475	dynamic	-1.4789	-1.4789	4.6673	2.9721	14.8956	90.0	90.0	90.0
mp-1094475	box	-1.4783	-1.4783	4.6668	2.9672	14.9139	90.0	90.0	90.0
mp-1094956	dynamic	-1.4717	-1.4717	3.0254	4.8599	4.797	90.0	90.0	90.0
mp-1094956	box	-1.4715	-1.4715	3.0269	4.8532	4.7971	90.0	90.0	90.0
mp-1094490	dynamic	-1.4686	-1.4686	4.7573	8.6196	4.9725	90.0	90.0	90.0
mp-1094490	box	-1.4595	-1.4595	4.7124	8.6556	4.9972	90.0	90.0	90.0
mp-1094474	dynamic	-1.4566	-1.4566	4.8013	3.0061	14.569	90.0	90.0	90.0
mp-1094435	box	-1.454	-1.454	10.9554	2.9821	6.7395	90.0	106.2	90.0
mp-1094474	box	-1.4536	-1.4536	4.7808	3.0115	14.5684	90.0	90.0	90.0
mp-1094493	box	-1.4498	-1.4498	10.9655	2.996	6.8063	90.0	107.5	90.0
mp-1094488	dynamic	-1.4357	-1.4357	4.8386	2.9925	14.8906	90.0	90.0	90.0
mp-1094488	box	-1.4315	-1.4315	4.8331	2.9947	14.9071	90.0	90.0	90.0
mp-1094429	box	-1.4117	-1.4117	3.0125	3.0125	14.1704	90.0	90.0	120.0
mp-1094788	box	-1.3818	-1.3818	3.0119	3.0119	9.5018	90.0	90.0	120.0
B1--NaCl--rock-salt	static	-1.0785	-1.0785	5.5238	5.5238	5.5238	90.0	90.0	90.0
B3--ZnS--cubic-zinc-blende	dynamic	-0.9014	-0.9014	6.3898	6.3898	6.3898	90.0	90.0	90.0
B1--NaCl--rock-salt	box	-0.3119	-0.3119	8.4834	8.4834	8.4834	90.0	90.0	90.0
B2--CsCl	box	-0.0588	-0.0588	6.8893	6.8893	6.8893	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-978269	box	-1.505	-1.505	5.1681	5.1681	12.6592	90.0	90.0	120.0
mp-1124	box	-1.4969	-1.4969	5.1962	5.1962	8.4645	90.0	90.0	120.0
mp-1094461	box	-1.4871	-1.4871	8.367	4.7451	5.6866	90.0	122.2	90.0
mp-1094483	dynamic	-1.4863	-1.4863	2.9186	14.1859	4.6198	90.0	90.0	90.0
mp-1094483	box	-1.4826	-1.4826	2.9054	14.1709	4.6215	90.0	90.0	90.0
mp-1094198	dynamic	-1.4674	-1.4674	8.2191	4.8345	4.7162	90.0	90.0	90.0
mp-1094500	dynamic	-1.4658	-1.4658	4.9232	4.9232	13.9735	90.0	90.0	120.0
mp-1094500	box	-1.4635	-1.4635	4.9281	4.9281	13.937	90.0	90.0	120.0
mp-1094492	box	-1.4582	-1.4582	10.4972	2.9173	6.737	90.0	105.3	90.0
mp-1094456	box	-1.4433	-1.4433	10.577	2.897	6.7426	90.0	108.8	90.0
mp-1094463	box	-1.4426	-1.4426	4.9524	4.9524	4.5637	90.0	90.0	120.0
mp-1094191	box	-1.4423	-1.4423	4.5739	2.9166	14.9139	90.0	90.0	90.0
mp-1094432	box	-1.4394	-1.4394	10.5806	2.8984	6.6296	90.0	107.2	90.0
mp-1094198	box	-1.4278	-1.4278	8.5353	4.8468	4.6081	90.0	90.0	90.0
mp-1094439	dynamic	-1.412	-1.412	2.878	14.583	4.6932	90.0	90.0	90.0
mp-1094439	box	-1.4074	-1.4074	2.8769	14.6508	4.6992	90.0	90.0	90.0
mp-1094504	box	-1.3953	-1.3953	10.8766	2.8898	6.7221	90.0	107.8	90.0
mp-1094426	box	-1.3899	-1.3899	2.9323	2.9323	13.8699	90.0	90.0	120.0
mp-1094460	dynamic	-1.3889	-1.3889	2.9051	14.2421	4.8582	90.0	90.0	90.0
mp-1094460	box	-1.386	-1.386	2.9052	14.3587	4.8315	90.0	90.0	90.0
mp-1094436	dynamic	-1.3814	-1.3814	2.9358	2.9358	13.6893	90.0	90.0	120.0
mp-1094436	box	-1.3769	-1.3769	2.9342	2.9342	13.8209	90.0	90.0	120.0
mp-567626	box	-1.3761	-1.3761	4.6335	7.9094	5.3939	90.0	90.0	90.0
C1--CaF2--fluorite	box	-0.9705	-0.9705	6.3411	6.3411	6.3411	90.0	90.0	90.0
C1--CaF2--fluorite	box	-0.1495	-0.1495	11.9513	11.9513	11.9513	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	-1.5281	-1.5281	3.9608	3.9608	3.9608	90.0	90.0	90.0
mp-1094476	dynamic	-1.5086	-1.5086	3.958	3.958	7.7234	90.0	90.0	90.0
mp-1094478	dynamic	-1.4712	-1.4712	5.5591	5.5591	4.6091	90.0	90.0	120.0
mp-1094430	dynamic	-1.4649	-1.4649	2.8692	9.3335	4.7995	90.0	90.0	90.0
mp-1094430	box	-1.4621	-1.4621	2.8639	9.3244	4.8112	90.0	90.0	90.0
mp-1094478	box	-1.4607	-1.4607	5.6145	5.6145	4.5616	90.0	90.0	120.0
mp-1094741	dynamic	-1.4518	-1.4518	2.8743	4.6245	4.7968	90.0	90.0	90.0
mp-1094741	box	-1.4459	-1.4459	2.869	4.6017	4.8113	90.0	90.0	90.0
D0_3--BiF3	static	-1.4302	-1.4302	6.237	6.237	6.237	90.0	90.0	90.0
mp-1094920	box	-1.3526	-1.3526	2.8874	2.8874	9.2149	90.0	90.0	120.0
A15--Cr3Si	static	-1.3046	-1.3046	4.9498	4.9498	4.9498	90.0	90.0	90.0
D0_3--BiF3	box	-0.0973	-0.0973	13.7698	13.7698	13.7698	90.0	90.0	90.0
L1_2--AuCu3	box	-0.0201	-0.0201	8.4627	8.4627	8.4627	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-1094194	box	-1.4362	-1.4362	4.7416	4.7416	14.1414	90.0	90.0	120.0
mp-1094462	box	-1.4049	-1.4049	4.7655	4.7655	4.6099	90.0	90.0	120.0
mp-1094484	dynamic	-1.4049	-1.4049	4.6851	2.8141	14.2279	90.0	90.0	90.0
mp-1094485	box	-1.401	-1.401	10.5389	2.8107	6.6489	90.0	107.8	90.0
mp-1094484	box	-1.3925	-1.3925	4.6556	2.8091	14.3303	90.0	90.0	90.0
mp-1094428	box	-1.3359	-1.3359	2.8322	2.8322	13.9328	90.0	90.0	120.0
mp-580931	box	-1.3283	-1.3283	18.8948	5.0888	9.017	90.0	113.8	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	-1.3866	-1.3866	3.8902	3.8902	3.8902	90.0	90.0	90.0
A3'--alpha-La--double-hcp	box	-1.3627	-1.3627	2.7043	2.7043	9.4603	90.0	90.0	120.0
mp-1187812	box	-1.3574	-1.3574	2.6906	2.6906	21.629	90.0	90.0	120.0
A3--Mg--hcp	static	-1.3504	-1.3504	2.668	2.668	4.9411	90.0	90.0	120.0
A2--W--bcc	static	-1.3053	-1.3053	3.1027	3.1027	3.1027	90.0	90.0	90.0
mp-1245093	dynamic	-1.2782	-1.2782	11.7535	11.9034	12.1889	88.2	87.6	85.7
A15--beta-W	dynamic	-1.2751	-1.2751	4.9947	4.9947	4.9947	90.0	90.0	90.0
mp-1244987	dynamic	-1.2649	-1.2649	11.8574	11.8637	12.0734	86.6	87.4	82.7
mp-1245184	dynamic	-1.2514	-1.2514	11.675	11.8871	12.3148	84.3	88.6	89.6
mp-1245266	dynamic	-1.2454	-1.2454	11.8208	11.9273	12.3583	95.5	90.0	96.2
mp-1245184	box	-1.0489	-1.0489	12.1993	12.4186	12.5186	95.4	92.3	91.0
mp-1245266	box	-1.0271	-1.0271	12.3692	12.4685	12.6829	95.5	91.8	94.1
Ah--alpha-Po--sc	static	-1.0267	-1.0267	2.7077	2.7077	2.7077	90.0	90.0	90.0
mp-1245093	box	-1.0206	-1.0206	12.4384	12.5069	12.5721	86.0	86.1	85.6
mp-1244987	box	-1.0145	-1.0145	12.4137	12.4242	12.709	87.9	88.1	88.3
A5--beta-Sn	dynamic	-0.7118	-0.7118	4.6894	4.6894	5.8652	90.0	90.0	90.0
A4--C--dc	dynamic	-0.7118	-0.7118	6.3865	6.3865	6.3865	90.0	90.0	90.0
A15--beta-W	static	-0.061	-0.061	10.6885	10.6885	10.6885	90.0	90.0	90.0
A2--W--bcc	box	-0.0496	-0.0496	6.8897	6.8897	6.8897	90.0	90.0	90.0
A3--Mg--hcp	box	-0.0492	-0.0492	5.9769	5.9769	9.7602	90.0	90.0	120.0
A3'--alpha-La--double-hcp	box	-0.0492	-0.0492	5.9769	5.9769	19.5204	90.0	90.0	120.0
A1--Cu--fcc	box	-0.0492	-0.0492	8.4526	8.4526	8.4526	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:

116.529	60.598	60.598	0.0	-0.0	-0.0
60.598	116.529	60.598	-0.0	0.0	0.0
60.598	60.598	116.529	0.0	0.0	-0.0
0.0	0.0	0.0	31.533	0.0	0.0
0.0	0.0	0.0	-0.0	31.533	0.0
0.0	0.0	0.0	0.0	0.0	31.533

116.529	60.597	60.597	-0.0	-0.0	0.0
60.597	116.529	60.597	-0.0	-0.0	0.0
60.597	60.597	116.529	-0.0	-0.0	0.0
0.0	-0.0	-0.0	31.533	-0.0	0.0
-0.0	0.0	-0.0	0.0	31.533	-0.0
-0.0	-0.0	0.0	-0.0	-0.0	31.533

139.839	48.833	48.833	-0.0	-0.0	-0.0
48.833	139.839	48.833	-0.0	0.0	-0.0
48.833	48.833	139.839	-0.0	-0.0	-0.0
-0.0	-0.0	0.0	-17.509	0.0	-0.0
-0.0	-0.0	-0.0	0.0	-17.509	-0.0
-0.0	0.0	-0.0	0.0	0.0	-17.509

140.562	48.472	48.472	0.0	0.0	-0.0
48.472	140.562	48.472	-0.0	0.0	-0.0
48.472	48.472	140.562	0.0	-0.0	-0.0
-0.0	0.0	-0.0	-17.509	0.0	-0.0
0.0	-0.0	-0.0	0.0	-17.509	-0.0
0.0	-0.0	-0.0	0.0	0.0	-17.509

140.56	48.472	48.472	-0.0	-0.0	0.0
48.472	140.56	48.472	-0.0	-0.0	0.0
48.472	48.472	140.56	-0.0	-0.0	0.0
0.0	-0.0	0.0	-17.509	0.0	0.0
-0.0	0.0	0.0	-0.0	-17.509	0.0
-0.0	0.0	0.0	-0.0	-0.0	-17.509

31.885	106.513	106.513	-0.0	0.0	0.0
106.513	31.885	106.513	-0.0	0.0	-0.0
106.513	106.513	31.885	-0.0	-0.0	-0.0
0.0	-0.0	-0.0	34.594	0.0	-0.0
-0.0	0.0	-0.0	-0.0	34.594	-0.0
-0.0	0.0	-0.0	-0.0	0.0	34.594

788.534	20.381	20.381	0.0	-0.0	0.0
20.381	788.534	20.381	0.0	-0.0	0.0
20.381	20.381	788.534	-0.0	-0.0	0.0
0.0	0.0	-0.0	-3.513	-0.0	0.0
0.0	0.0	-0.0	-0.0	-3.513	0.0
0.0	-0.0	0.0	0.0	-0.0	-3.513

788.539	20.381	20.381	-0.0	-0.0	-0.0
20.381	788.539	20.381	0.0	-0.0	-0.0
20.381	20.381	788.539	0.0	0.0	-0.0
-0.0	-0.0	0.0	-3.513	0.0	-0.0
-0.0	-0.0	0.0	0.0	-3.513	-0.0
-0.0	0.0	-0.0	0.0	0.0	-3.513

788.511	20.382	20.382	-0.0	-0.0	0.0
20.382	788.511	20.382	0.0	0.0	0.0
20.382	20.382	788.511	0.0	-0.0	0.0
-0.0	0.0	-0.0	-3.513	-0.0	0.0
0.0	-0.0	-0.0	-0.0	-3.513	0.0
0.0	-0.0	-0.0	0.0	-0.0	-3.513

788.562	20.38	20.38	-0.0	0.0	-0.0
20.38	788.562	20.38	0.0	0.0	-0.0
20.38	20.38	788.562	-0.0	-0.0	-0.0
0.0	-0.0	0.0	-3.513	-0.0	-0.0
-0.0	0.0	0.0	-0.0	-3.513	-0.0
-0.0	0.0	0.0	-0.0	-0.0	-3.513

788.283	20.389	20.389	-0.0	-0.0	0.0
20.389	788.283	20.389	0.0	-0.0	0.0
20.389	20.389	788.283	-0.0	-0.0	0.0
-0.0	-0.0	-0.0	-3.513	-0.0	0.0
-0.0	-0.0	-0.0	-0.0	-3.513	0.0
-0.0	-0.0	-0.0	0.0	0.0	-3.513

788.79	20.373	20.373	0.0	0.0	-0.0
20.373	788.79	20.373	0.0	0.0	-0.0
20.373	20.373	788.79	-0.0	-0.0	-0.0
0.0	0.0	0.0	-3.513	0.0	-0.0
0.0	0.0	0.0	-0.0	-3.513	-0.0
0.0	0.0	0.0	-0.0	0.0	-3.513

126.313	59.721	53.959	0.0	0.0	0.0
59.721	126.313	53.959	-0.0	-0.0	0.0
53.959	53.959	124.82	0.0	-0.0	0.0
-0.0	-0.0	-0.0	28.889	0.0	0.0
-0.0	-0.0	-0.0	-0.0	28.889	0.0
-0.0	0.0	-0.0	-0.0	-0.0	33.296

126.242	59.792	53.959	0.0	0.0	-0.0
59.721	126.313	53.959	0.0	-0.0	-0.0
53.959	53.959	124.82	-0.0	0.0	-0.0
-0.0	-0.0	0.0	28.889	-0.0	-0.0
0.0	0.0	0.0	-0.0	28.889	-0.0
0.0	-0.0	0.0	0.0	0.0	33.296

126.314	59.721	53.959	-0.0	-0.0	0.0
59.793	126.243	53.959	-0.0	-0.0	0.0
53.959	53.959	124.821	-0.0	-0.0	0.0
-0.0	-0.0	0.0	28.889	-0.0	0.0
-0.0	-0.0	0.0	-0.0	28.889	0.0
-0.0	0.0	0.0	-0.0	-0.0	33.296

126.313	59.721	53.958	0.0	0.0	-0.0
59.721	126.313	53.958	0.0	-0.0	-0.0
53.958	53.958	124.82	0.0	0.0	-0.0
0.0	0.0	-0.0	28.889	0.0	-0.0
0.0	0.0	-0.0	-0.0	28.889	-0.0
0.0	-0.0	-0.0	0.0	0.0	33.296

131.384	59.886	50.386	-0.0	0.0	-0.0
59.886	131.384	50.386	-0.0	-0.0	-0.0
50.386	50.386	127.494	-0.0	0.0	-0.0
0.0	0.0	0.0	28.772	0.0	-0.0
-0.0	0.0	0.0	-0.0	28.772	-0.0
0.0	0.0	0.0	-0.0	0.0	35.749

131.43	59.84	50.386	0.0	-0.0	0.0
59.886	131.384	50.386	0.0	-0.0	0.0
50.386	50.386	127.494	0.0	-0.0	0.0
0.0	0.0	-0.0	28.772	-0.0	0.0
0.0	0.0	-0.0	0.0	28.772	0.0
0.0	-0.0	-0.0	0.0	-0.0	35.749

131.429	59.84	50.386	0.0	-0.0	0.0
59.886	131.383	50.386	-0.0	-0.0	0.0
50.386	50.386	127.493	0.0	-0.0	0.0
0.0	0.0	-0.0	28.772	-0.0	0.0
0.0	0.0	-0.0	0.0	28.772	0.0
0.0	-0.0	-0.0	0.0	-0.0	35.749

32.059	15.493	15.493	-0.0	-0.0	-0.0
15.493	32.059	15.493	-0.0	-0.0	-0.0
15.493	15.493	32.059	-0.0	0.0	-0.0
0.0	-0.0	0.0	16.456	0.0	0.0
-0.0	0.0	0.0	0.0	16.456	0.0
-0.0	-0.0	0.0	0.0	0.0	10.254

16.638	169.175	25.622	-0.0	-0.0	-0.0
169.175	16.638	25.622	-0.0	0.0	-0.0
25.622	25.622	208.564	0.0	0.0	-0.0
-0.0	0.0	-0.0	-2.646	0.0	-0.0
0.0	0.0	-0.0	-0.0	-2.646	-0.0
-0.0	-0.0	0.0	0.0	0.0	31.818

170.922	14.891	25.622	-0.0	-0.0	0.0
14.891	170.922	25.622	-0.0	-0.0	0.0
25.622	25.622	208.564	-0.0	-0.0	0.0
0.0	-0.0	0.0	-2.646	-0.0	0.0
-0.0	-0.0	0.0	0.0	-2.646	-0.0
0.0	0.0	-0.0	0.0	-0.0	31.818

-75896406.348	67014841.343	12006941.127	0.0	0.0	-0.0
67014841.343	-75896406.348	12006941.127	0.0	0.0	0.0
25.622	25.622	208.564	0.0	0.0	0.0
-0.0	0.0	-0.0	-2.646	0.0	0.0
0.0	-0.0	-0.0	-0.0	-2.646	-0.0
-0.0	-0.0	0.0	0.0	-0.0	31.818

-67014576.084	75896494.966	-12006883.101	0.0	-0.0	0.0
75896494.966	-67014576.084	-12006883.101	-0.0	0.0	0.0
25.622	25.622	208.564	0.0	-0.0	0.0
0.0	-0.0	0.0	-2.646	-0.0	0.0
-0.0	0.0	0.0	-0.0	-2.646	-0.0
0.0	0.0	-0.0	0.0	0.0	31.818

-7589563.973	6701500.091	1200736.678	0.0	-0.0	0.0
6701500.091	-7589563.973	1200736.678	-0.0	-0.0	-0.0
25.622	25.622	208.565	0.0	-0.0	0.0
-0.0	0.0	-0.0	-2.646	0.0	-0.0
0.0	-0.0	-0.0	0.0	-2.646	-0.0
-0.0	-0.0	0.0	-0.0	-0.0	31.818

-6701234.833	7589652.591	-1200678.652	-0.0	-0.0	0.0
7589652.591	-6701234.833	-1200678.652	0.0	0.0	0.0
25.622	25.622	208.563	0.0	0.0	0.0
0.0	-0.0	0.0	-2.646	-0.0	-0.0
-0.0	0.0	0.0	0.0	-2.646	0.0
0.0	0.0	-0.0	-0.0	-0.0	31.818

193.101	9.545	9.545	0.0	-0.0	0.0
9.545	193.101	9.545	-0.0	-0.0	0.0
9.545	9.545	193.101	-0.0	-0.0	0.0
0.0	0.0	-0.0	-0.17	0.0	0.0
0.0	0.0	-0.0	0.0	-0.17	0.0
0.0	-0.0	0.0	0.0	-0.0	-0.17

193.102	9.545	9.545	-0.0	-0.0	0.0
9.545	193.102	9.545	-0.0	-0.0	-0.0
9.545	9.545	193.102	0.0	0.0	-0.0
0.0	-0.0	-0.0	-0.17	-0.0	0.0
-0.0	0.0	-0.0	0.0	-0.17	0.0
-0.0	-0.0	0.0	0.0	-0.0	-0.17

193.103	9.545	9.545	-0.0	-0.0	0.0
9.545	193.103	9.545	0.0	-0.0	0.0
9.545	9.545	193.103	0.0	-0.0	0.0
0.0	-0.0	-0.0	-0.17	0.0	0.0
-0.0	0.0	-0.0	0.0	-0.17	0.0
-0.0	-0.0	0.0	-0.0	-0.0	-0.17

193.1	9.545	9.545	0.0	0.0	-0.0
9.545	193.1	9.545	-0.0	0.0	-0.0
9.545	9.545	193.1	0.0	0.0	-0.0
-0.0	0.0	0.0	-0.17	0.0	-0.0
0.0	-0.0	0.0	-0.0	-0.17	-0.0
0.0	0.0	-0.0	0.0	0.0	-0.17

-93.554	-73.356	49.493	0.0	-0.0	-0.0
-73.356	-93.554	49.493	-0.0	-0.0	0.0
-94.529	-94.529	116.914	0.0	-0.0	-0.0
0.0	0.0	0.0	10.569	-0.0	-0.0
0.0	0.0	0.0	-0.0	10.569	0.0
-117.938	-117.938	26.015	-0.0	-0.0	46.834