# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Do-E-C-Shin-Y-H-Lee-B-J--Ga-In # implementation = 2009--Do-E-C--Ga-In--LAMMPS--ipr1 # composition = Ga3In # 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 3.518991395e+02 nan nan 0.80 3.327710004e+02 nan nan 0.82 3.146284115e+02 nan nan 0.84 2.974222765e+02 2.746701967e+02 nan 0.86 2.811058807e+02 2.609484399e+02 3.413463549e+02 0.88 2.656347776e+02 2.478674339e+02 3.249589277e+02 0.90 2.509666814e+02 2.353985534e+02 3.093125132e+02 0.92 2.370613640e+02 2.235144062e+02 2.943749145e+02 0.94 2.238805569e+02 2.121887810e+02 2.801152893e+02 0.96 2.113878584e+02 2.013965987e+02 2.665040936e+02 0.98 1.995486441e+02 1.911138650e+02 2.535130291e+02 1.00 1.883299823e+02 1.813176249e+02 2.411149919e+02 1.02 1.777005531e+02 1.719859192e+02 2.292840233e+02 1.04 1.676305715e+02 1.630977428e+02 2.179952630e+02 1.06 1.580917138e+02 1.546330044e+02 2.072249038e+02 1.08 1.490570479e+02 1.465724885e+02 1.969501482e+02 1.10 1.405009661e+02 1.388978180e+02 1.871491670e+02 1.12 1.323991222e+02 1.315914193e+02 1.778010591e+02 1.14 1.247283705e+02 1.246364879e+02 1.688858132e+02 1.16 1.174667083e+02 1.180169566e+02 1.603842714e+02 1.18 1.105932208e+02 1.117174632e+02 1.522780934e+02 1.20 1.040880288e+02 1.057233218e+02 1.445497228e+02 1.22 9.793223868e+01 1.000204932e+02 1.371823550e+02 1.24 9.210789493e+01 9.459555785e+01 1.301599053e+02 1.26 8.659793478e+01 8.943568920e+01 1.234669795e+02 1.28 8.138614506e+01 8.452862867e+01 1.170888451e+02 1.30 7.645712100e+01 7.986266124e+01 1.110114037e+02 1.32 7.179622713e+01 7.542659224e+01 1.052211643e+02 1.34 6.738955987e+01 7.120972508e+01 9.970521864e+01 1.36 6.322391201e+01 6.720183990e+01 9.445121610e+01 1.38 5.928673884e+01 6.339317306e+01 8.944734087e+01 1.40 5.556612587e+01 5.977439756e+01 8.468228935e+01 1.42 5.205075810e+01 5.633660420e+01 8.014524876e+01 1.44 4.872989076e+01 5.307128358e+01 7.582587650e+01 1.46 4.559332143e+01 4.997030884e+01 7.171428039e+01 1.48 4.263136349e+01 4.702591908e+01 6.780099975e+01 1.50 3.983482084e+01 4.423070351e+01 6.407698722e+01 1.52 3.719496385e+01 4.157758627e+01 6.053359128e+01 1.54 3.470350640e+01 3.905981188e+01 5.716253959e+01 1.56 3.235258406e+01 3.667093128e+01 5.395592292e+01 1.58 3.013473336e+01 3.440478845e+01 5.090617982e+01 1.60 2.804287192e+01 3.225550766e+01 4.800608181e+01 1.62 2.607027971e+01 3.021748118e+01 4.524871930e+01 1.64 2.421058104e+01 2.828535757e+01 4.262748802e+01 1.66 2.245772754e+01 2.645403038e+01 4.013607599e+01 1.68 2.080598190e+01 2.471862746e+01 3.776845112e+01 1.70 1.924990241e+01 2.307450058e+01 3.551884921e+01 1.72 1.778432824e+01 2.151721559e+01 3.338176254e+01 1.74 1.640436545e+01 2.004254297e+01 3.135192887e+01 1.76 1.510537365e+01 1.864644876e+01 2.942432089e+01 1.78 1.388295332e+01 1.732508591e+01 2.759413620e+01 1.80 1.273293374e+01 1.607478597e+01 2.585678758e+01 1.82 1.165136152e+01 1.489205116e+01 2.420789376e+01 1.84 1.063448968e+01 1.377354677e+01 2.264327052e+01 1.86 9.678767252e+00 1.271609387e+01 2.115892220e+01 1.88 8.780829389e+00 1.171666237e+01 1.975103352e+01 1.90 7.937487983e+00 1.077236435e+01 1.841596178e+01 1.92 7.145722711e+00 9.880447643e+00 1.715022937e+01 1.94 6.402672536e+00 9.038289807e+00 1.595051658e+01 1.96 5.705627616e+00 8.243392229e+00 1.481365477e+01 1.98 5.052021620e+00 7.493374563e+00 1.373661973e+01 2.00 4.439424413e+00 6.785969382e+00 1.271652540e+01 2.02 3.865535106e+00 6.119017070e+00 1.175061785e+01 2.04 3.328175444e+00 5.490460928e+00 1.083626942e+01 2.06 2.825283528e+00 4.898342499e+00 9.970973253e+00 2.08 2.354907844e+00 4.340797100e+00 9.152337952e+00 2.10 1.915201580e+00 3.816049538e+00 8.378082487e+00 2.12 1.504417240e+00 3.322410025e+00 7.646031339e+00 2.14 1.120901516e+00 2.858270266e+00 6.954109831e+00 2.16 7.630904140e-01 2.422099720e+00 6.300339666e+00 2.18 4.295046295e-01 2.012442023e+00 5.682834650e+00 2.20 1.187451496e-01 1.627911574e+00 5.099796599e+00 2.22 -1.705109236e-01 1.267190268e+00 4.549511424e+00 2.24 -4.395143404e-01 9.290243709e-01 4.030345375e+00 2.26 -6.894474718e-01 6.122215398e-01 3.540741456e+00 2.28 -9.214278878e-01 3.156479682e-01 3.079215986e+00 2.30 -1.136511756e+00 3.822566228e-02 2.644355311e+00 2.32 -1.335697068e+00 -2.210701626e-01 2.234812656e+00 2.34 -1.519926703e+00 -4.632135698e-01 1.849305115e+00 2.36 -1.690091337e+00 -6.891302778e-01 1.486610766e+00 2.38 -1.847032203e+00 -8.996999302e-01 1.145565919e+00 2.40 -1.991543708e+00 -1.095758264e+00 8.250624704e-01 2.42 -2.124375927e+00 -1.278099181e+00 5.240453870e-01 2.44 -2.246236955e+00 -1.447476724e+00 2.415102871e-01 2.46 -2.357795151e+00 -1.604606969e+00 -2.349886677e-02 2.48 -2.459681258e+00 -1.750169822e+00 -2.718919767e-01 2.50 -2.552490422e+00 -1.884810747e+00 -5.045349212e-01 2.52 -2.636784101e+00 -2.009142408e+00 -7.222515754e-01 2.54 -2.713091876e+00 -2.123746233e+00 -9.258257420e-01 2.56 -2.781913175e+00 -2.229173919e+00 -1.116002998e+00 2.58 -2.843718895e+00 -2.325948854e+00 -1.293492459e+00 2.60 -2.898952953e+00 -2.414567485e+00 -1.458968470e+00 2.62 -2.948033748e+00 -2.495500618e+00 -1.613072215e+00 2.64 -2.991355549e+00 -2.569194659e+00 -1.756413259e+00 2.66 -3.029289812e+00 -2.636072797e+00 -1.889571026e+00 2.68 -3.062186422e+00 -2.696536136e+00 -2.013096202e+00 2.70 -3.090374878e+00 -2.750964773e+00 -2.127512083e+00 2.72 -3.114165410e+00 -2.799718820e+00 -2.233315861e+00 2.74 -3.133850039e+00 -2.843139389e+00 -2.330979852e+00 2.76 -3.149703577e+00 -2.881549525e+00 -2.420952669e+00 2.78 -3.161984579e+00 -2.915255096e+00 -2.503660611e+00 2.80 -3.170936244e+00 -2.944545639e+00 -2.579510138e+00 2.82 -3.176787260e+00 -2.969695175e+00 -2.648885790e+00 2.84 -3.179752617e+00 -2.990962973e+00 -2.712143769e+00 2.86 -3.180034361e+00 -3.008594291e+00 -2.769634240e+00 2.88 -3.177822319e+00 -3.022821071e+00 -2.821686936e+00 2.90 -3.173294782e+00 -3.033862608e+00 -2.868613256e+00 2.92 -3.166619146e+00 -3.041926184e+00 -2.910708570e+00 2.94 -3.157952521e+00 -3.047207673e+00 -2.948252991e+00 2.96 -3.147442310e+00 -3.049892119e+00 -2.981512116e+00 2.98 -3.135226751e+00 -3.050154279e+00 -3.010737730e+00 3.00 -3.121435432e+00 -3.048159149e+00 -3.036168475e+00 3.02 -3.106189777e+00 -3.044062461e+00 -3.058030498e+00 3.04 -3.089603499e+00 -3.038011153e+00 -3.076538058e+00 3.06 -3.071783043e+00 -3.030143820e+00 -3.091894112e+00 3.08 -3.052827983e+00 -3.020591141e+00 -3.104290868e+00 3.10 -3.032831415e+00 -3.009476287e+00 -3.113910323e+00 3.12 -3.011880316e+00 -2.996915309e+00 -3.120924762e+00 3.14 -2.990055888e+00 -2.983017501e+00 -3.125497243e+00 3.16 -2.967433879e+00 -2.967885755e+00 -3.127782058e+00 3.18 -2.944084887e+00 -2.951616892e+00 -3.127925171e+00 3.20 -2.919031124e+00 -2.934301976e+00 -3.126064635e+00 3.22 -2.867501363e+00 -2.916026615e+00 -3.122330988e+00 3.24 -2.715467406e+00 -2.896871247e+00 -3.116847637e+00 3.26 -2.406006463e+00 -2.876911408e+00 -3.109731216e+00 3.28 -2.319103962e+00 -2.856217993e+00 -3.101091932e+00 3.30 -2.282572957e+00 -2.834857494e+00 -3.091033888e+00 3.32 -2.245946612e+00 -2.812892237e+00 -3.079655402e+00 3.34 -2.209253067e+00 -2.790380598e+00 -3.067049301e+00 3.36 -2.172519063e+00 -2.767377210e+00 -3.053303199e+00 3.38 -2.135770129e+00 -2.743932837e+00 -3.038499776e+00 3.40 -2.099030771e+00 -2.717929410e+00 -3.022717024e+00 3.42 -2.062324665e+00 -2.668785681e+00 -3.006028501e+00 3.44 -2.025674832e+00 -2.556507858e+00 -2.988503552e+00 3.46 -1.989103829e+00 -2.404376323e+00 -2.970207538e+00 3.48 -1.952633921e+00 -2.370579788e+00 -2.951202044e+00 3.50 -1.915652824e+00 -2.344788576e+00 -2.931545073e+00 3.52 -1.846894263e+00 -2.318993127e+00 -2.911291246e+00 3.54 -1.622605522e+00 -2.293213536e+00 -2.890491971e+00 3.56 -1.109059464e+00 -2.267468103e+00 -2.869195623e+00 3.58 -6.338516993e-01 -2.241773423e+00 -2.847447702e+00 3.60 -6.207012238e-01 -2.216144467e+00 -2.825290992e+00 3.62 -6.078039451e-01 -2.190594666e+00 -2.802765703e+00 3.64 -5.951588278e-01 -2.165135989e+00 -2.779909614e+00 3.66 -5.827644993e-01 -2.139779006e+00 -2.756758204e+00 3.68 -5.706192785e-01 -2.114532959e+00 -2.733344780e+00 3.70 -5.587212032e-01 -2.089405822e+00 -2.709700594e+00 3.72 -5.470680549e-01 -2.064404356e+00 -2.685854959e+00 3.74 -5.356573838e-01 -2.039534163e+00 -2.661835353e+00 3.76 -5.244865308e-01 -2.014799730e+00 -2.637667526e+00 3.78 -5.135526490e-01 -1.990204477e+00 -2.613375592e+00 3.80 -5.028527237e-01 -1.965750795e+00 -2.588982123e+00 3.82 -4.923835908e-01 -1.941440078e+00 -2.564508238e+00 3.84 -4.821419548e-01 -1.917272760e+00 -2.539973683e+00 3.86 -4.721244050e-01 -1.893248339e+00 -2.515396910e+00 3.88 -4.623274306e-01 -1.869365402e+00 -2.490795149e+00 3.90 -4.527474354e-01 -1.845621645e+00 -2.466184484e+00 3.92 -4.423048127e-01 -1.817770136e+00 -2.436206296e+00 3.94 -4.173636744e-01 -1.731227960e+00 -2.331206818e+00 3.96 -3.431547537e-01 -1.442287681e+00 -1.963075396e+00 3.98 -1.805409843e-01 -7.751151130e-01 -1.080296059e+00 4.00 -9.953158297e-24 -1.983659966e-22 -3.598968863e-22 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 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