# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Arora-G-Bonny-G-Castin-N-Aidhy-D-S--Fe-Ni-Cr-Pd # implementation = 2021--Arora-G--Fe-Ni-Cr-Pd--LAMMPS--ipr1 # composition = FeNi3 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-11-27 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 1.022099652e+03 nan nan 0.90 9.214917230e+02 nan nan 0.92 8.319589380e+02 nan nan 0.94 7.522973310e+02 nan nan 0.96 6.814067360e+02 nan nan 0.98 6.179164589e+02 9.274763539e+02 1.056831598e+03 1.00 5.606591554e+02 8.429087543e+02 9.638818739e+02 1.02 5.088991315e+02 7.665826782e+02 8.797831565e+02 1.04 4.620284532e+02 6.976801131e+02 8.034637896e+02 1.06 4.195405054e+02 6.354766072e+02 7.341074742e+02 1.08 3.810096546e+02 5.793914888e+02 6.710486557e+02 1.10 3.460735198e+02 5.288962201e+02 6.137197655e+02 1.12 3.143955323e+02 4.834587020e+02 5.615920711e+02 1.14 2.856669901e+02 4.426099169e+02 5.141248011e+02 1.16 2.596623831e+02 4.057461512e+02 4.708519963e+02 1.18 2.361935721e+02 3.722492330e+02 4.313833977e+02 1.20 2.151062964e+02 3.416768097e+02 3.954082978e+02 1.22 1.961993284e+02 3.137706763e+02 3.626464736e+02 1.24 1.791856355e+02 2.882902881e+02 3.328772453e+02 1.26 1.637911486e+02 2.650074276e+02 3.059253898e+02 1.28 1.498247575e+02 2.437126992e+02 2.814628332e+02 1.30 1.371398769e+02 2.242114255e+02 2.591206041e+02 1.32 1.255990639e+02 2.063445346e+02 2.386009317e+02 1.34 1.150756530e+02 1.899764632e+02 2.197548095e+02 1.36 1.054557860e+02 1.749772240e+02 2.024659693e+02 1.38 9.664261219e+01 1.612194862e+02 1.866180639e+02 1.40 8.854895724e+01 1.485889490e+02 1.720941387e+02 1.42 8.110010501e+01 1.369815784e+02 1.587771377e+02 1.44 7.422970657e+01 1.262993939e+02 1.465594842e+02 1.46 6.787747396e+01 1.164487983e+02 1.353434740e+02 1.48 6.199330710e+01 1.073446794e+02 1.250348155e+02 1.50 5.653272575e+01 9.890974854e+01 1.155429451e+02 1.52 5.145524346e+01 9.107664026e+01 1.067892692e+02 1.54 4.672513331e+01 8.378406795e+01 9.870583302e+01 1.56 4.230960467e+01 7.698070852e+01 9.123406986e+01 1.58 3.817973759e+01 7.062811496e+01 8.431727454e+01 1.60 3.431097426e+01 6.469457194e+01 7.790078360e+01 1.62 3.068309711e+01 5.915196470e+01 7.193496109e+01 1.64 2.727808422e+01 5.397471328e+01 6.637445670e+01 1.66 2.408250218e+01 4.913927786e+01 6.117786625e+01 1.68 2.108583305e+01 4.462401288e+01 5.630639821e+01 1.70 1.827859400e+01 4.041016650e+01 5.172658138e+01 1.72 1.565167852e+01 3.648051493e+01 4.741055860e+01 1.74 1.319876833e+01 3.281877315e+01 4.333494770e+01 1.76 1.091874949e+01 2.941134069e+01 3.948013776e+01 1.78 8.811407800e+00 2.624637100e+01 3.582966605e+01 1.80 6.876681881e+00 2.331063094e+01 3.237194214e+01 1.82 5.116893648e+00 2.059095897e+01 2.910013209e+01 1.84 3.535977391e+00 1.807664474e+01 2.600991827e+01 1.86 2.136497167e+00 1.576290721e+01 2.309781296e+01 1.88 9.192834202e-01 1.364456081e+01 2.036042564e+01 1.90 -1.156308585e-01 1.170432583e+01 1.779503392e+01 1.92 -9.648331901e-01 9.921277138e+00 1.539934928e+01 1.94 -1.628824502e+00 8.274671628e+00 1.317141426e+01 1.96 -2.134177548e+00 6.745682791e+00 1.110906672e+01 1.98 -2.517572657e+00 5.328187916e+00 9.207941344e+00 2.00 -2.815717707e+00 4.020873834e+00 7.462113961e+00 2.02 -3.063578507e+00 2.822542460e+00 5.865711643e+00 2.04 -3.277751983e+00 1.733386388e+00 4.415765711e+00 2.06 -3.463464490e+00 7.525607023e-01 3.109249004e+00 2.08 -3.624438001e+00 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-3.965317066e+00 -4.386279220e+00 -4.413195567e+00 2.46 -3.919993665e+00 -4.386967879e+00 -4.443196481e+00 2.48 -3.874341171e+00 -4.379774057e+00 -4.459590459e+00 2.50 -3.828871246e+00 -4.365817333e+00 -4.464222191e+00 2.52 -3.784039757e+00 -4.346023368e+00 -4.458836145e+00 2.54 -3.740085345e+00 -4.321208009e+00 -4.444840487e+00 2.56 -3.697075604e+00 -4.292260120e+00 -4.423523411e+00 2.58 -3.654957768e+00 -4.260018934e+00 -4.396157342e+00 2.60 -3.613670447e+00 -4.225245993e+00 -4.364013054e+00 2.62 -3.573179450e+00 -4.188641643e+00 -4.328411440e+00 2.64 -3.533478756e+00 -4.150660492e+00 -4.290393222e+00 2.66 -3.494560053e+00 -4.111349036e+00 -4.250408383e+00 2.68 -3.456406981e+00 -4.070703582e+00 -4.208844596e+00 2.70 -3.418892526e+00 -4.028715207e+00 -4.166087277e+00 2.72 -3.381771465e+00 -3.985380097e+00 -4.122516783e+00 2.74 -3.344788118e+00 -3.940784844e+00 -4.078452603e+00 2.76 -3.307681504e+00 -3.895064614e+00 -4.034092024e+00 2.78 -3.270189496e+00 -3.848354325e+00 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-2.978066695e+00 -3.219832276e+00 3.16 -2.336808992e+00 -2.932491904e+00 -3.179086995e+00 3.18 -2.275985187e+00 -2.887174195e+00 -3.138144887e+00 3.20 -2.215120140e+00 -2.842106848e+00 -3.096925245e+00 3.22 -2.154467677e+00 -2.797327778e+00 -3.055347172e+00 3.24 -2.094281288e+00 -2.752872866e+00 -3.013329555e+00 3.26 -2.034814037e+00 -2.708689792e+00 -2.970791029e+00 3.28 -1.976318462e+00 -2.664648360e+00 -2.927649942e+00 3.30 -1.919046462e+00 -2.620615229e+00 -2.883824315e+00 3.32 -1.863249170e+00 -2.576456533e+00 -2.839231797e+00 3.34 -1.809175959e+00 -2.532039095e+00 -2.793789618e+00 3.36 -1.756975742e+00 -2.487241232e+00 -2.747412869e+00 3.38 -1.706604849e+00 -2.441989694e+00 -2.700057693e+00 3.40 -1.657996413e+00 -2.396321942e+00 -2.651831816e+00 3.42 -1.611081788e+00 -2.350292428e+00 -2.602868633e+00 3.44 -1.565790248e+00 -2.303954330e+00 -2.553300086e+00 3.46 -1.522048885e+00 -2.257359935e+00 -2.503257254e+00 3.48 -1.479782352e+00 -2.210560618e+00 -2.452870321e+00 3.50 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-1.625206520e+00 3.86 -8.483202422e-01 -1.381385625e+00 -1.588616050e+00 3.88 -8.213635876e-01 -1.345425832e+00 -1.552898681e+00 3.90 -7.951039528e-01 -1.310245569e+00 -1.517993664e+00 3.92 -7.695361037e-01 -1.275817592e+00 -1.483838518e+00 3.94 -7.446553986e-01 -1.242112860e+00 -1.450368871e+00 3.96 -7.204531364e-01 -1.209100278e+00 -1.417518249e+00 3.98 -6.969221416e-01 -1.176746434e+00 -1.385217879e+00 4.00 -6.740479801e-01 -1.145015296e+00 -1.353396477e+00 4.02 -6.518204157e-01 -1.113867878e+00 -1.321979955e+00 4.04 -6.302192716e-01 -1.083261945e+00 -1.290891164e+00 4.06 -6.092252821e-01 -1.053151568e+00 -1.260049579e+00 4.08 -5.888195651e-01 -1.023486596e+00 -1.229370931e+00 4.10 -5.689682770e-01 -9.942122469e-01 -1.198766802e+00 4.12 -5.496383835e-01 -9.652810040e-01 -1.168163315e+00 4.14 -5.308035026e-01 -9.366903318e-01 -1.137560003e+00 4.16 -5.124178053e-01 -9.084495540e-01 -1.106975218e+00 4.18 -4.943925545e-01 -8.805683833e-01 -1.076427405e+00 4.20 -4.765543420e-01 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