× 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.

2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Ni-Al-Co

Citation: G.P. Purja Pun, V. Yamakov, and Y. Mishin (2015), "Interatomic potential for the ternary Ni–Al–Co system and application to atomistic modeling of the B2–L10 martensitic transformation", Modelling and Simulation in Materials Science and Engineering, 23(6), 065006. DOI: 10.1088/0965-0393/23/6/065006.

Abstract: Ni–Al–Co is a promising system for ferromagnetic shape memory applications. This paper reports on the development of a ternary embedded-atom potential for this system by fitting to experimental and first-principles data. Reasonably good agreement is achieved for physical properties between values predicted by the potential and values known from experiment and/or first-principles calculations. The potential reproduces basic features of the martensitic phase transformation from the B2-ordered high-temperature phase to a tetragonal CuAu-ordered low-temperature phase. The compositional and temperature ranges of this transformation and the martensite microstructure predicted by the potential compare well with existing experimental data. These results indicate that the proposed potential can be used for simulations of the shape memory effect in the Ni–Al–Co system.

Notes: The reference information was updated on 26 Aug. 2015.

LAMMPS pair_style eam/alloy (2015--Purja-Pun-G-P--Ni-Al-Co--LAMMPS--ipr1)

See Computed Properties
Notes: This file was sent by Y. Mishin (George Mason Univ.) on 17 Sept. 2013 and was posted on 17 Jan. 2014. This version is compatible with LAMMPS. Validation and usage information can be found in Mishin-Ni-Al-Co-2013_lammps.pdf.
File(s): superseded

LAMMPS pair_style eam/alloy (2015--Purja-Pun-G-P--Ni-Al-Co--LAMMPS--ipr2)

See Computed Properties
Notes: This file was sent by G Purja Pun (George Mason Univ.) on 12 Oct. 2015 and was posted on 15 Dec. 2015. This version corrects an issue with the cutoff distance for Co interactions that was discovered during calculations of pressure dependent elastic constants.
File(s):

Mishin_updated-Ni-Al-Co-2013.eam.alloy

OpenKIM (MO_826591359508)

See Computed Properties
Notes: Listing found at https://openkim.org. This KIM potential is based on the files from 2015--Purja-Pun-G-P--Ni-Al-Co--LAMMPS--ipr2.
Link(s):

KIM page EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000

Implementation Information

This page displays computed properties for the 2015--Purja-Pun-G-P--Ni-Al-Co--LAMMPS--ipr1 implementation of the 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Ni-Al-Co 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

2015--Purja-Pun-G-P--Ni-Al-Co--LAMMPS--ipr1/diatom

Click on plot to load interactive version

2015--Purja-Pun-G-P--Ni-Al-Co--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

2015--Purja-Pun-G-P--Ni-Al-Co--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	-3.3599	-3.36	4.05	4.05	4.05	90.0	90.0	90.0
A15--beta-W	dynamic	-3.3468	-3.3469	5.1467	5.1467	5.1467	90.0	90.0	90.0
A3'--alpha-La--double-hcp	dynamic	-3.3437	-3.3439	2.8458	2.8458	9.5344	90.0	90.0	120.0
A3--Mg--hcp	dynamic	-3.3321	-3.3322	2.8191	2.8191	4.9445	90.0	90.0	120.0
oqmd-1214770	dynamic	-3.3219	-3.3221	10.0139	10.0139	10.0139	90.0	90.0	90.0
oqmd-1214859	dynamic	-3.3208	-3.3209	7.019	7.019	7.019	90.0	90.0	90.0
oqmd-1214770	box	-3.3196	-3.3197	10.0175	10.0175	10.0175	90.0	90.0	90.0
oqmd-1214859	box	-3.3167	-3.3168	7.0154	7.0154	7.0154	90.0	90.0	90.0
mp-1245129	dynamic	-3.284	-3.2841	11.7642	12.1783	12.2321	98.0	91.9	92.4
mp-1244953	dynamic	-3.2837	-3.2839	12.099	12.1019	12.1178	80.6	82.5	85.9
mp-1245152	dynamic	-3.2805	-3.2807	11.7047	11.8705	12.5247	93.4	92.2	93.1
mp-1245307	dynamic	-3.2798	-3.2799	11.6441	12.0354	12.3699	91.9	92.2	90.8
A2--W--bcc	static	-3.2544	-3.2545	3.2354	3.2354	3.2354	90.0	90.0	90.0
mp-1245129	box	-3.254	-3.2541	11.7117	12.1208	12.4372	94.0	92.8	95.9
mp-1244953	box	-3.2471	-3.2472	12.0478	12.0627	12.2688	86.7	80.5	87.3
mp-1245152	box	-3.2432	-3.2433	11.9169	12.126	12.2354	92.2	91.7	96.3
mp-1245307	box	-3.2416	-3.2418	11.9452	12.1653	12.1829	90.8	93.7	92.6
mp-1245067	box	-3.2303	-3.2304	11.9648	12.269	12.2729	92.6	93.9	97.6
oqmd-1215037	box	-3.2039	-3.204	2.7991	4.9898	10.8154	90.0	90.0	90.0
oqmd-1214681	box	-3.0388	-3.0389	4.3086	8.3969	4.4766	90.0	90.0	90.0
A5--beta-Sn	static	-3.0358	-3.0359	5.3506	5.3506	2.7773	90.0	90.0	90.0
Ah--alpha-Po--sc	static	-2.9613	-2.9614	2.7407	2.7407	2.7407	90.0	90.0	90.0
mp-1239196	static	-2.8142	-2.8144	3.7409	3.7409	13.4204	90.0	90.0	90.0
mp-1239196	box	-2.8019	-2.802	3.7978	3.7978	13.3379	90.0	90.0	90.0
A4--C--dc	static	-2.4689	-2.4691	6.0465	6.0465	6.0465	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-30751	box	-3.7107	-3.7148	8.1769	12.5216	14.4252	90.0	90.0	90.0
mp-1198336	box	-3.7079	-3.7121	8.2087	12.5232	14.3895	90.0	90.0	90.0
oqmd-684912	box	-3.6699	-3.674	8.1582	12.6496	14.5171	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-1229050	dynamic	-3.9405	-3.9471	12.6966	3.862	15.113	90.0	103.9	90.0
mp-1229050	box	-3.8976	-3.9041	12.369	4.0327	15.0754	90.0	106.5	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-1215090	box	-3.7082	-3.7125	15.0701	8.1332	12.5365	90.0	107.6	90.0

prototype	method	E_coh (eV/atom)	E_pot (eV/atom)	a₀ (Å)	b₀ (Å)	c₀ (Å)	α (degrees)	β (degrees)	γ (degrees)
C1--CaF2--fluorite	dynamic	-3.8686	-3.8744	5.6277	5.6277	5.6277	90.0	90.0	90.0
oqmd-1231465	static	-3.6379	-3.6437	5.8453	5.8453	2.6928	90.0	90.0	90.0
oqmd-1231465	box	-3.6379	-3.6437	5.8431	5.8431	2.6957	90.0	90.0	90.0
oqmd-1238125	static	-1.4881	-1.4939	10.3221	10.3221	10.3221	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-425542	box	-4.0152	-4.0256	5.9343	5.9343	12.5401	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-1228913	dynamic	-4.542	-4.5531	2.8328	2.8328	5.7719	90.0	90.0	90.0
mp-1228913	box	-4.541	-4.5521	2.8304	2.8304	5.7811	90.0	90.0	90.0
L2_1--AlCu2Mn--heusler	dynamic	-4.518	-4.5291	5.6947	5.6947	5.6947	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	-3.9055	-3.9147	5.6383	5.6383	5.6383	90.0	90.0	90.0
oqmd-1231494	static	-3.6092	-3.6184	5.8853	5.8853	2.6303	90.0	90.0	90.0
oqmd-1231494	box	-3.5951	-3.6043	5.8621	5.8621	2.6813	90.0	90.0	90.0
oqmd-1239581	static	-2.1947	-2.2039	10.8689	10.8689	10.8689	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-1229048	dynamic	-4.5095	-4.5259	2.8606	2.8606	13.6737	90.0	90.0	90.0
mp-1229048	box	-4.5079	-4.5243	2.8597	2.8597	13.6803	90.0	90.0	90.0
oqmd-425572	box	-4.0101	-4.0265	6.0679	6.0679	11.9452	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-1228607	dynamic	-3.7352	-3.7396	16.4097	3.9991	7.8141	90.0	113.9	90.0
oqmd-324802	box	-3.7302	-3.7346	5.5481	5.5481	4.082	90.0	90.0	120.0
mp-1228607	box	-3.7147	-3.7191	16.8076	4.063	7.578	90.0	115.2	90.0
D0_3--BiF3	dynamic	-3.6655	-3.6699	5.8931	5.8931	5.8931	90.0	90.0	90.0
L1_2--AuCu3	static	-3.6122	-3.6166	3.8598	3.8598	3.8598	90.0	90.0	90.0
A15--Cr3Si	dynamic	-3.4946	-3.499	4.5962	4.5962	4.5962	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-319958	dynamic	-3.8908	-3.8977	5.3962	5.3962	4.3077	90.0	90.0	120.0
oqmd-319958	box	-3.8897	-3.8966	5.3861	5.3861	4.3225	90.0	90.0	120.0
L1_2--AuCu3	dynamic	-3.8862	-3.8931	3.8015	3.8015	3.8015	90.0	90.0	90.0
oqmd-297529	dynamic	-3.8831	-3.89	3.7973	3.7973	7.5992	90.0	90.0	90.0
mp-622209	dynamic	-3.8683	-3.8752	6.2356	7.765	4.9097	90.0	90.0	90.0
oqmd-10517	dynamic	-3.8683	-3.8752	6.2354	7.765	4.9098	90.0	90.0	90.0
oqmd-10517	box	-3.8599	-3.8668	6.4974	7.5734	4.8338	90.0	90.0	90.0
mp-622209	box	-3.8596	-3.8665	6.492	7.5704	4.84	90.0	90.0	90.0
A15--Cr3Si	dynamic	-3.8319	-3.8388	4.8404	4.8404	4.8404	90.0	90.0	90.0
D0_3--BiF3	static	-3.8291	-3.836	5.9891	5.9891	5.9891	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-1057	dynamic	-4.148	-4.1589	3.9788	3.9788	4.8982	90.0	90.0	120.0
oqmd-18699	box	-4.1476	-4.1586	3.9793	3.9793	4.8975	90.0	90.0	120.0
mp-1057	box	-4.1472	-4.1581	3.9798	3.9798	4.8972	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-16514	dynamic	-4.5651	-4.5821	6.2753	7.538	3.7784	90.0	90.0	90.0
oqmd-10518	dynamic	-4.5651	-4.5821	6.2754	7.538	3.7784	90.0	90.0	90.0
oqmd-10518	box	-4.563	-4.5801	6.2464	7.5402	3.7918	90.0	90.0	90.0
mp-16514	box	-4.5627	-4.5798	6.2435	7.5404	3.7932	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-1228713	dynamic	-4.5004	-4.522	3.5371	3.5371	17.3694	90.0	90.0	90.0
mp-1228713	box	-4.4974	-4.5189	3.5407	3.5407	17.2983	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-16515	dynamic	-4.2541	-4.2658	11.2751	11.2751	11.2751	90.0	90.0	90.0
mp-16515	box	-4.2537	-4.2654	11.2759	11.2759	11.2759	90.0	90.0	90.0
oqmd-10519	box	-4.2536	-4.2654	11.2758	11.2758	11.2758	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-5772	box	-3.8036	-3.8086	7.8102	7.8102	7.2414	90.0	90.0	120.0
oqmd-19163	box	-3.8026	-3.8076	7.8232	7.8232	7.2247	90.0	90.0	120.0
mp-196	box	-3.8023	-3.8073	7.8198	7.8198	7.2325	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-16488	dynamic	-3.6559	-3.6592	6.1819	6.3404	8.5951	90.0	98.0	90.0
oqmd-10412	dynamic	-3.6559	-3.6592	6.1819	6.3404	8.5952	90.0	98.0	90.0
oqmd-10412	box	-3.644	-3.6472	6.2582	6.2849	8.5692	90.0	98.1	90.0
mp-16488	box	-3.6433	-3.6465	6.2571	6.2858	8.5762	90.0	98.1	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-1228742	box	-3.7792	-3.7844	7.737	11.9054	15.2271	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)
B2--CsCl	dynamic	-4.5062	-4.5149	2.7968	2.7968	2.7968	90.0	90.0	90.0
L1_0--AuCu	static	-4.5057	-4.5143	2.791	2.791	2.8229	90.0	90.0	90.0
B1--NaCl--rock-salt	static	-4.2713	-4.2799	4.5847	4.5847	4.5847	90.0	90.0	90.0
oqmd-1224493	box	-3.8097	-3.8183	3.9831	3.9831	4.5562	90.0	90.0	120.0
B3--ZnS--cubic-zinc-blende	static	-3.1589	-3.1675	5.201	5.201	5.201	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	-4.1385	-4.15	5.3549	5.3549	5.3549	90.0	90.0	90.0
oqmd-1238124	static	-1.0324	-1.0439	10.4227	10.4227	10.4227	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-1214822	dynamic	-4.4971	-4.5126	3.8085	3.8085	6.188	90.0	90.0	90.0
L2_1--AlCu2Mn--heusler	static	-4.4827	-4.4981	5.703	5.703	5.703	90.0	90.0	90.0
L2_1--AlCu2Mn--heusler	box	-4.4784	-4.4938	5.5789	5.5789	5.5789	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-321396	dynamic	-4.4966	-4.5094	4.8528	4.8528	3.9696	90.0	90.0	120.0
oqmd-321396	box	-4.484	-4.4968	4.8516	4.8516	3.9853	90.0	90.0	120.0
oqmd-303718	dynamic	-4.4542	-4.4671	3.3721	3.3721	6.7999	90.0	90.0	90.0
L1_2--AuCu3	dynamic	-4.4214	-4.4343	3.3961	3.3961	3.3961	90.0	90.0	90.0
D0_3--BiF3	static	-4.3724	-4.3853	5.5718	5.5718	5.5718	90.0	90.0	90.0
D0_3--BiF3	static	-4.3666	-4.3795	5.6329	5.6329	5.6329	90.0	90.0	90.0
A15--Cr3Si	static	-4.2157	-4.2286	4.4249	4.4249	4.4249	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-1228933	dynamic	-4.4102	-4.424	2.5513	2.5513	29.3848	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-941101	dynamic	-4.218	-4.2329	5.2722	5.2722	5.2722	90.0	90.0	90.0
oqmd-859244	dynamic	-4.0182	-4.033	5.4226	5.4226	5.4226	90.0	90.0	90.0
oqmd-959934	static	-3.7684	-3.7833	5.4496	5.4496	5.4496	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	-4.3003	-4.3183	5.7381	5.7381	5.7381	90.0	90.0	90.0
L2_1--AlCu2Mn--heusler	static	-4.2926	-4.3105	5.5298	5.5298	5.5298	90.0	90.0	90.0
L2_1--AlCu2Mn--heusler	box	-4.2914	-4.3094	5.589	5.589	5.589	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-1228972	dynamic	-4.5703	-4.5929	3.5577	3.5577	7.1939	90.0	90.0	90.0
mp-1228972	box	-4.551	-4.5736	3.5633	3.5633	7.1782	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)
B2--CsCl	dynamic	-4.4972	-4.5109	2.832	2.832	2.832	90.0	90.0	90.0
oqmd-1217542	box	-4.4971	-4.5108	4.0053	2.8317	4.0054	90.0	90.0	90.0
oqmd-1228008	box	-4.2968	-4.3105	2.6727	2.6727	3.9078	90.0	90.0	120.0
oqmd-325571	box	-4.2773	-4.291	2.6767	2.6767	11.8332	90.0	90.0	120.0
B1--NaCl--rock-salt	static	-3.925	-3.9387	4.7535	4.7535	4.7535	90.0	90.0	90.0
oqmd-1224522	box	-3.5964	-3.61	3.9522	3.9522	4.6397	90.0	90.0	120.0
B3--ZnS--cubic-zinc-blende	static	-3.2344	-3.2481	5.3052	5.3052	5.3052	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-1025044	dynamic	-4.576	-4.5942	3.945	3.945	4.8324	90.0	90.0	120.0
mp-1025044	box	-4.5753	-4.5935	3.9462	3.9462	4.8309	90.0	90.0	120.0
C1--CaF2--fluorite	dynamic	-4.1211	-4.1393	5.4214	5.4214	5.4214	90.0	90.0	90.0
oqmd-1239580	static	-2.1645	-2.1827	10.9783	10.9783	10.9783	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	-4.611	-4.6315	3.5332	3.5332	3.5332	90.0	90.0	90.0
oqmd-318597	dynamic	-4.6074	-4.6279	4.9907	4.9907	4.0638	90.0	90.0	120.0
oqmd-298875	dynamic	-4.6046	-4.625	3.6063	3.6063	6.6924	90.0	90.0	90.0
mp-1183232	box	-4.6044	-4.6248	4.9923	4.9923	4.0659	90.0	90.0	120.0
oqmd-298875	box	-4.6039	-4.6243	3.5694	3.5694	6.8756	90.0	90.0	90.0
oqmd-318597	box	-4.6032	-4.6237	4.9927	4.9927	4.0662	90.0	90.0	120.0
D0_3--BiF3	dynamic	-4.5783	-4.5988	5.5425	5.5425	5.5425	90.0	90.0	90.0
A15--Cr3Si	dynamic	-4.5327	-4.5532	4.4363	4.4363	4.4363	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	-4.3739	-4.3911	2.5187	2.5187	4.0557	90.0	90.0	120.0
oqmd-1215229	box	-4.3736	-4.3907	2.5131	4.3717	4.0562	90.0	90.0	90.0
oqmd-1216031	static	-4.3715	-4.3886	2.5195	2.5195	18.3381	90.0	90.0	120.0
A3'--alpha-La--double-hcp	dynamic	-4.3703	-4.3875	2.5197	2.5197	8.1709	90.0	90.0	120.0
A3'--alpha-La--double-hcp	static	-4.3702	-4.3874	2.5201	2.5201	8.1663	90.0	90.0	120.0
A3'--alpha-La--double-hcp	box	-4.3702	-4.3874	2.52	2.52	8.1678	90.0	90.0	120.0
A1--Cu--fcc	dynamic	-4.3677	-4.3849	3.5642	3.5642	3.5642	90.0	90.0	90.0
mp-1271679	box	-4.3518	-4.369	2.5193	2.5193	4.0843	90.0	90.0	120.0
A2--W--bcc	static	-4.3103	-4.3275	2.8151	2.8151	2.8151	90.0	90.0	90.0
A2--W--bcc	static	-4.3102	-4.3273	2.8152	2.8152	2.8152	90.0	90.0	90.0
oqmd-1214873	static	-4.2769	-4.294	6.1276	6.1276	6.1276	90.0	90.0	90.0
oqmd-1214873	dynamic	-4.2769	-4.294	6.1277	6.1277	6.1277	90.0	90.0	90.0
oqmd-1214873	box	-4.2754	-4.2925	6.1256	6.1256	6.1256	90.0	90.0	90.0
oqmd-1214784	dynamic	-4.257	-4.2741	8.7679	8.7679	8.7679	90.0	90.0	90.0
oqmd-594127	box	-4.255	-4.2721	7.9878	7.9878	9.6126	90.0	90.0	120.0
mp-669382	box	-4.2541	-4.2713	7.9454	7.9454	9.7023	90.0	90.0	120.0
A15--beta-W	static	-4.21	-4.2271	4.548	4.548	4.548	90.0	90.0	90.0
oqmd-631034	box	-4.1781	-4.1953	8.5107	8.5107	4.61	90.0	90.0	90.0
mp-1193227	box	-4.1763	-4.1934	8.5123	8.5123	4.6091	90.0	90.0	90.0
oqmd-1215051	box	-4.1489	-4.1661	4.1975	9.0529	2.5437	90.0	90.0	90.0
mp-1072089	static	-4.1004	-4.1176	6.6368	6.6368	6.6368	90.0	90.0	90.0
oqmd-1214695	box	-4.0556	-4.0727	2.4381	2.4381	8.3967	90.0	90.0	90.0
A5--beta-Sn	static	-3.916	-3.9331	4.6208	4.6208	2.4063	90.0	90.0	90.0
Ah--alpha-Po--sc	box	-3.7436	-3.7608	2.3711	2.3711	2.3711	90.0	90.0	90.0
oqmd-1215942	box	-3.2362	-3.2533	4.015	4.015	4.4896	90.0	90.0	120.0
A7--alpha-As	box	-3.203	-3.2201	3.208	3.208	10.3766	90.0	90.0	120.0
A4--C--dc	static	-2.7103	-2.7275	5.3436	5.3436	5.3436	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	-3.7393	-3.7598	5.4159	5.4159	5.4159	90.0	90.0	90.0
oqmd-1232456	box	-3.1345	-3.155	4.9658	4.9658	4.1065	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-1226559	box	-4.551	-4.5707	2.4607	2.4607	8.3306	90.0	90.0	120.0
oqmd-297717	dynamic	-4.4329	-4.4526	3.6354	3.6354	7.1294	90.0	90.0	90.0
oqmd-320326	dynamic	-4.4	-4.4196	5.1023	5.1023	4.0412	90.0	90.0	120.0
oqmd-320326	box	-4.3999	-4.4196	5.1019	5.1019	4.0413	90.0	90.0	120.0
mp-1183837	box	-4.3995	-4.4192	5.1015	5.1015	4.0415	90.0	90.0	120.0
L1_2--AuCu3	dynamic	-4.3982	-4.4179	3.6216	3.6216	3.6216	90.0	90.0	90.0
D0_3--BiF3	box	-4.3021	-4.3218	5.7816	5.7816	5.7816	90.0	90.0	90.0
D0_3--BiF3	static	-4.3019	-4.3216	5.7772	5.7772	5.7772	90.0	90.0	90.0
A15--Cr3Si	static	-4.2235	-4.2432	4.4429	4.4429	4.4429	90.0	90.0	90.0
A15--Cr3Si	static	-4.21	-4.2296	4.6376	4.6376	4.6376	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-1228970	static	-4.4422	-4.4644	2.4398	2.4398	4.3795	90.0	90.0	120.0
mp-1226063	static	-4.43	-4.4522	2.4491	4.1085	4.4264	90.0	90.0	90.0
oqmd-1219805	dynamic	-4.4219	-4.4441	4.0578	2.4767	4.5086	90.0	90.0	90.0
oqmd-1219805	box	-4.4188	-4.4409	4.0582	2.4813	4.5167	90.0	90.0	90.0
L1_0--AuCu	dynamic	-4.4146	-4.4367	2.5706	2.5706	3.6255	90.0	90.0	90.0
B2--CsCl	static	-4.2462	-4.2684	2.9224	2.9224	2.9224	90.0	90.0	90.0
mp-1226063	box	-4.2318	-4.2539	3.0417	3.881	4.1048	90.0	90.0	90.0
B2--CsCl	dynamic	-4.1968	-4.219	2.7455	2.7455	2.7455	90.0	90.0	90.0
B2--CsCl	box	-4.185	-4.2072	2.7951	2.7951	2.7951	90.0	90.0	90.0
B1--NaCl--rock-salt	static	-3.7521	-3.7743	4.9131	4.9131	4.9131	90.0	90.0	90.0
B3--ZnS--cubic-zinc-blende	static	-2.7928	-2.815	5.3679	5.3679	5.3679	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	-3.7391	-3.763	5.4301	5.4301	5.4301	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-299242	dynamic	-4.4459	-4.4706	3.6247	3.6247	7.0918	90.0	90.0	90.0
A15--Cr3Si	dynamic	-4.4088	-4.4335	4.3776	4.3776	4.3776	90.0	90.0	90.0
L1_2--AuCu3	dynamic	-4.4064	-4.4311	3.6092	3.6092	3.6092	90.0	90.0	90.0
oqmd-318790	dynamic	-4.3976	-4.4223	5.0606	5.0606	4.0691	90.0	90.0	120.0
mp-1183785	box	-4.3962	-4.4209	5.0601	5.0601	4.0717	90.0	90.0	120.0
oqmd-318790	box	-4.3947	-4.4194	5.0603	5.0603	4.073	90.0	90.0	120.0
D0_3--BiF3	static	-4.3001	-4.3248	5.7615	5.7615	5.7615	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	-4.4228	-4.45	3.52	3.52	3.52	90.0	90.0	90.0
A3'--alpha-La--double-hcp	dynamic	-4.4115	-4.4387	2.4854	2.4854	8.1645	90.0	90.0	120.0
oqmd-1216067	static	-4.4078	-4.4351	2.4842	2.4842	18.4046	90.0	90.0	120.0
A3--Mg--hcp	dynamic	-4.4006	-4.4279	2.4819	2.4819	4.1048	90.0	90.0	120.0
oqmd-1215262	box	-4.4001	-4.4273	2.4737	4.3127	4.1049	90.0	90.0	90.0
A15--beta-W	dynamic	-4.3921	-4.4193	4.4342	4.4342	4.4342	90.0	90.0	90.0
oqmd-1214906	dynamic	-4.3702	-4.3975	6.0662	6.0662	6.0662	90.0	90.0	90.0
oqmd-1214906	box	-4.3698	-4.3971	6.0632	6.0632	6.0632	90.0	90.0	90.0
oqmd-1214817	dynamic	-4.3579	-4.3852	8.626	8.626	8.626	90.0	90.0	90.0
oqmd-1214817	box	-4.3563	-4.3835	8.6317	8.6317	8.6317	90.0	90.0	90.0
A2--W--bcc	static	-4.3555	-4.3827	2.7687	2.7687	2.7687	90.0	90.0	90.0
oqmd-1215084	box	-4.1106	-4.1378	2.5103	4.2328	9.1147	90.0	90.0	90.0
oqmd-1214728	static	-4.0612	-4.0884	2.4636	2.4636	8.1674	90.0	90.0	90.0
oqmd-1214728	box	-4.0611	-4.0883	2.4659	2.4659	8.1654	90.0	90.0	90.0
A5--beta-Sn	static	-3.8373	-3.8645	4.6612	4.6612	2.4242	90.0	90.0	90.0
mp-1014111	box	-3.8358	-3.8631	2.4596	2.4596	13.8026	89.1	88.9	60.0
mp-1014111	static	-3.8358	-3.8631	2.4596	2.4596	13.8025	89.1	88.9	60.0
Ah--alpha-Po--sc	box	-3.6992	-3.7264	2.3965	2.3965	2.3965	90.0	90.0	90.0
mp-1094136	box	-3.5555	-3.5827	2.4434	4.2319	15.645	90.0	90.0	90.0
A7--alpha-As	box	-3.4213	-3.4485	3.216	3.216	9.4817	90.0	90.0	120.0
A4--C--dc	static	-3.0063	-3.0336	5.2221	5.2221	5.2221	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:

113.781	61.537	61.537	-0.0	0.0	-0.0
61.537	113.781	61.537	0.0	0.0	-0.0
61.537	61.537	113.781	-0.0	0.0	-0.0
-0.0	0.0	0.0	31.597	0.0	-0.0
0.0	0.0	0.0	0.0	31.597	-0.0
0.0	0.0	0.0	0.0	0.0	31.597

206.385	83.957	83.957	0.0	-0.0	-0.0
83.957	206.385	83.957	-0.0	-0.0	-0.0
83.957	83.957	206.385	0.0	-0.0	-0.0
-0.0	-0.0	-0.0	43.075	-0.0	-0.0
-0.0	-0.0	-0.0	0.0	43.075	-0.0
-0.0	-0.0	-0.0	0.0	-0.0	43.075

206.723	83.788	83.788	-0.0	0.0	-0.0
83.788	206.723	83.788	-0.0	-0.0	-0.0
83.788	83.788	206.723	0.0	-0.0	-0.0
0.0	-0.0	-0.0	47.101	-0.0	-0.0
-0.0	0.0	-0.0	-0.0	47.101	-0.0
-0.0	-0.0	0.0	-0.0	-0.0	47.101

6.596	63.791	63.791	0.0	0.0	-0.0
63.791	6.596	63.791	0.0	-0.0	-0.0
63.791	63.791	6.596	0.0	-0.0	-0.0
-0.0	-0.0	-0.0	23.336	0.0	0.0
-0.0	-0.0	-0.0	0.0	23.336	-0.0
-0.0	-0.0	-0.0	0.0	-0.0	23.336

6.597	63.791	63.791	-0.0	0.0	0.0
63.791	6.597	63.791	-0.0	-0.0	0.0
63.791	63.791	6.597	-0.0	-0.0	-0.0
0.0	0.0	0.0	23.336	0.0	0.0
0.0	0.0	0.0	-0.0	23.336	0.0
0.0	0.0	0.0	-0.0	0.0	23.336

117.677	58.054	52.123	0.0	-0.0	-0.0
58.52	117.211	52.123	0.0	-0.0	-0.0
52.123	52.123	92.884	0.0	-0.0	-0.0
-0.0	-0.0	-0.0	20.421	0.0	-0.0
-0.0	-0.0	0.0	0.0	20.421	-0.0
-0.0	-0.0	0.0	0.0	-0.0	29.346

117.212	58.52	52.123	0.0	-0.0	-0.0
58.054	117.678	52.123	0.0	-0.0	-0.0
52.123	52.123	92.884	0.0	0.0	-0.0
0.0	0.0	0.0	20.421	-0.0	-0.0
0.0	0.0	0.0	0.0	20.421	-0.0
0.0	0.0	0.0	0.0	-0.0	29.812

117.677	58.053	52.123	-0.0	0.0	0.0
58.52	117.211	52.123	-0.0	0.0	0.0
52.123	52.123	92.884	-0.0	0.0	0.0
-0.0	-0.0	-0.0	20.421	0.0	0.0
-0.0	-0.0	-0.0	-0.0	20.421	0.0
-0.0	-0.0	-0.0	-0.0	0.0	29.812

116.136	55.442	45.274	0.0	-0.0	-0.0
55.535	116.042	45.274	0.0	-0.0	-0.0
45.274	45.274	69.917	0.0	-0.0	-0.0
0.0	-0.0	0.0	11.18	-0.0	-0.0
0.0	-0.0	0.0	0.0	11.18	-0.0
0.0	0.0	0.0	-0.0	-0.0	30.347

116.043	55.535	45.274	0.0	-0.0	-0.0
55.535	116.043	45.274	0.0	-0.0	-0.0
45.274	45.274	69.917	0.0	-0.0	-0.0
0.0	0.0	-0.0	11.18	-0.0	-0.0
0.0	0.0	-0.0	0.0	11.18	-0.0
0.0	0.0	-0.0	0.0	-0.0	30.254

116.043	55.536	45.275	0.0	-0.0	-0.0
55.536	116.043	45.275	0.0	-0.0	-0.0
45.274	45.274	69.916	-0.0	-0.0	-0.0
0.0	0.0	-0.0	11.18	-0.0	-0.0
0.0	0.0	-0.0	0.0	11.18	-0.0
0.0	0.0	-0.0	-0.0	-0.0	30.347

29.621	34.953	34.953	-0.0	0.0	0.0
34.953	29.621	34.953	0.0	-0.0	0.0
34.953	34.953	29.621	-0.0	0.0	-0.0
0.0	0.0	0.0	33.534	-0.0	-0.0
0.0	0.0	-0.0	-0.0	33.534	-0.0
0.0	0.0	-0.0	-0.0	-0.0	33.534

29.621	34.952	34.952	0.0	-0.0	-0.0
34.952	29.621	34.952	-0.0	-0.0	-0.0
34.952	34.952	29.621	-0.0	-0.0	0.0
-0.0	-0.0	-0.0	-16.341	-0.0	-0.0
-0.0	-0.0	-0.0	0.0	-16.341	-0.0
-0.0	-0.0	-0.0	0.0	0.0	-16.341

136.139	24.708	14.286	0.0	-0.0	0.0
24.708	136.139	14.286	0.0	-0.0	0.0
14.286	14.286	61.304	0.0	-0.0	0.0
0.0	0.0	0.0	-4.965	0.0	0.0
0.0	0.0	0.0	0.0	-4.965	0.0
0.0	0.0	-0.0	0.0	-0.0	6.517

136.138	24.708	14.286	0.0	0.0	-0.0
24.708	136.138	14.286	-0.0	0.0	-0.0
14.286	14.286	61.304	-0.0	-0.0	-0.0
0.0	-0.0	0.0	-17.234	0.0	-0.0
-0.0	0.0	0.0	-0.0	-17.234	-0.0
-0.0	-0.0	0.0	0.0	0.0	6.517

-2373.858	2534.867	14.246	-0.001	-0.002	0.0
2500.263	-2339.259	14.247	-0.001	-0.001	0.0
14.286	14.286	61.304	0.0	0.0	0.0
-0.0	0.0	-0.0	-4.965	0.0	0.0
0.0	-0.0	-0.0	0.0	-4.965	0.0
0.0	0.0	-0.0	0.0	-0.0	6.517

-2378.729	2539.414	14.327	0.0	0.0	-0.0
2533.305	-2372.62	14.327	0.0	0.0	-0.0
14.286	14.286	61.303	-0.0	0.0	-0.0
0.0	-0.0	0.0	-4.965	-0.0	-0.0
-0.0	0.0	0.0	-0.0	-4.965	-0.0
-0.0	-0.0	0.0	-0.0	0.0	6.517

108.679	1.439	1.439	-0.0	0.0	-0.0
1.439	108.679	1.439	-0.0	0.0	-0.0
1.439	1.439	108.679	0.0	-0.0	-0.0
0.0	0.0	0.0	-8.538	-0.0	-0.0
0.0	0.0	0.0	0.0	-8.538	-0.0
0.0	0.0	0.0	-0.0	0.0	-8.538

108.68	1.439	1.439	-0.0	0.0	-0.0
1.439	108.68	1.439	-0.0	0.0	-0.0
1.439	1.439	108.68	0.0	-0.0	-0.0
0.0	0.0	-0.0	-8.538	-0.0	0.0
0.0	0.0	-0.0	0.0	-8.538	-0.0
0.0	-0.0	0.0	-0.0	-0.0	-8.538

108.678	1.439	1.439	-0.0	-0.0	-0.0
1.439	108.678	1.439	0.0	-0.0	0.0
1.439	1.439	108.678	-0.0	-0.0	0.0
-0.0	-0.0	0.0	-8.538	0.0	0.0
-0.0	-0.0	0.0	0.0	-8.538	0.0
-0.0	0.0	-0.0	0.0	-0.0	-8.538

52.505	46.203	38.878	-0.0	-0.0	0.0
46.203	52.505	38.878	0.0	-0.0	0.0
35.041	35.041	101.302	-0.0	-0.0	0.0
-5.046	-5.046	-0.87	3.969	0.0	0.0
-5.046	-5.046	-0.87	-0.0	3.969	0.0
-2.669	-2.669	-0.46	0.0	-0.0	39.265

36.734	42.198	37.173	-0.0	-0.0	0.0
42.198	36.734	37.173	0.0	-0.0	0.0
38.878	38.878	101.964	0.0	0.0	0.0
-0.0	0.0	0.0	34.67	-0.0	0.0
0.0	-0.0	0.0	0.0	34.67	0.0
-0.267	-0.267	-0.046	0.0	-0.0	39.265

36.836	42.807	37.234	-0.0	0.0	-0.0
42.807	36.836	37.234	-0.0	0.0	-0.0
37.976	37.976	101.809	0.0	0.0	-0.0
0.0	-0.0	-0.0	34.67	0.0	-0.0
-0.0	0.0	-0.0	-0.0	34.67	-0.0
0.267	0.267	0.046	-0.0	0.0	39.265

25.725	59.488	37.714	0.0	0.0	-0.0
59.488	25.725	37.714	0.0	0.0	-0.0
37.736	37.736	101.767	0.0	0.0	-0.0
0.027	0.027	0.005	2.059	-0.0	-0.0
0.027	0.027	0.005	0.0	2.059	-0.0
0.0	-0.0	0.0	0.0	-0.0	39.265

28.298	50.177	36.032	-0.0	0.0	0.0
50.177	28.298	36.032	-0.0	0.0	-0.0
36.162	36.162	97.833	0.0	-0.0	-0.0
0.0	0.0	-0.0	5.361	-0.0	0.0
0.0	0.0	-0.0	-0.0	5.361	0.0
0.0	0.0	0.0	-0.0	-0.0	35.365

51.795	39.155	36.705	0.0	-0.0	-0.0
39.155	51.795	36.705	0.0	0.0	0.0
35.489	35.489	97.761	0.0	0.0	-0.0
-0.0	-0.0	-0.0	5.361	0.0	0.0
-0.0	-0.0	0.0	0.0	5.361	-0.0
-0.0	-0.0	0.0	0.0	0.0	35.365

37.004	36.071	35.74	0.0	0.0	-0.0
36.071	37.004	35.74	-0.0	-0.0	-0.0
36.162	36.162	97.833	0.0	-0.0	-0.0
-0.0	0.0	0.0	5.361	-0.0	-0.0
0.0	-0.0	0.0	0.0	5.361	-0.0
-0.0	-0.0	-0.0	-0.0	0.0	35.365

114.405	57.651	56.312	-1.229	-6.164	-1.267
-142.618	147.118	117.815	-22.324	-18.396	111.042
57.532	55.259	110.515	-1.289	-0.267	0.585
-0.533	-0.586	-1.289	28.713	0.701	-0.267
-1.587	-0.46	-0.267	0.701	30.877	-0.699
-0.174	1.279	0.438	-0.063	-2.247	30.851

137.723	40.246	33.647	-6.387	1.925	-13.573
103.287	82.661	29.02	-6.695	5.16	-10.693
143.566	14.784	48.29	-7.01	9.116	-31.83
19.35	-3.886	-8.003	26.838	2.42	-11.45
42.612	-20.738	-25.488	-3.865	25.626	-13.207
-0.174	1.279	0.438	-0.063	-2.247	30.851

48.161	92.826	78.662	-0.433	-1.863	12.221
54.37	99.7	58.706	-1.285	-0.516	4.117
56.908	59.006	95.616	-1.673	0.166	2.423
-0.533	-0.586	-1.289	28.713	0.701	-0.267
-4.494	1.921	3.282	0.781	20.168	0.022
-0.174	1.279	0.438	-0.063	-2.247	30.851

99.904	58.7	57.109	-2.542	-2.76	-2.692
60.658	114.064	53.654	-2.856	0.236	0.233
68.576	53.549	80.156	-3.451	2.213	-2.249
1.282	-0.988	-2.307	24.99	0.762	-1.607
0.762	-0.508	-0.628	0.769	26.828	-2.011
13.723	-12.182	-8.938	-0.395	-1.961	7.827