# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Mg3Ni # 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 2024-04-11 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 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 3.433262608e+02 nan nan 1.16 3.151249743e+02 nan nan 1.18 2.893075378e+02 nan nan 1.20 2.656588078e+02 nan nan 1.22 2.439853902e+02 nan nan 1.24 2.241124431e+02 nan nan 1.26 2.058816406e+02 nan nan 1.28 1.891500794e+02 2.959692364e+02 3.405249290e+02 1.30 1.737888410e+02 2.736081216e+02 3.153766839e+02 1.32 1.596808713e+02 2.529724596e+02 2.921339945e+02 1.34 1.467189955e+02 2.339181965e+02 2.706438744e+02 1.36 1.348048496e+02 2.163155170e+02 2.507668805e+02 1.38 1.238487389e+02 2.000480073e+02 2.323752581e+02 1.40 1.137697241e+02 1.850106479e+02 2.153518326e+02 1.42 1.044950658e+02 1.711076338e+02 1.995892018e+02 1.44 9.595895249e+01 1.582507753e+02 1.849889182e+02 1.46 8.810080132e+01 1.463585601e+02 1.714606952e+02 1.48 8.086577032e+01 1.353556186e+02 1.589216446e+02 1.50 7.420376007e+01 1.251723554e+02 1.472956029e+02 1.52 6.806891095e+01 1.157447133e+02 1.365126637e+02 1.54 6.241929000e+01 1.070140170e+02 1.265089064e+02 1.56 5.721650697e+01 9.892672498e+01 1.172261062e+02 1.58 5.242528404e+01 9.143360422e+01 1.086111930e+02 1.60 4.801305152e+01 8.448955364e+01 1.006155346e+02 1.62 4.394964094e+01 7.805365360e+01 9.319405037e+01 1.64 4.020709715e+01 7.208831925e+01 8.630455287e+01 1.66 3.675954742e+01 6.655898258e+01 7.990826289e+01 1.68 3.358310957e+01 6.143375200e+01 7.396897906e+01 1.70 3.065587150e+01 5.668308761e+01 6.845288669e+01 1.72 2.795789116e+01 5.227950258e+01 6.332855636e+01 1.74 2.547112514e+01 4.819733836e+01 5.856702612e+01 1.76 2.317924532e+01 4.441264710e+01 5.414183146e+01 1.78 2.106740526e+01 4.090318569e+01 5.002885660e+01 1.80 1.912201666e+01 3.764844066e+01 4.620605960e+01 1.82 1.733055744e+01 3.462961396e+01 4.265315156e+01 1.84 1.568142658e+01 3.182951691e+01 3.935134015e+01 1.86 1.416384449e+01 2.923242138e+01 3.628315092e+01 1.88 1.276778738e+01 2.682388168e+01 3.343233037e+01 1.90 1.148393396e+01 2.459056608e+01 3.078377777e+01 1.92 1.030361038e+01 2.252010598e+01 2.832345775e+01 1.94 9.218735196e+00 2.060097991e+01 2.603830979e+01 1.96 8.221775974e+00 1.882243518e+01 2.391614298e+01 1.98 7.305740460e+00 1.717445322e+01 2.194554231e+01 2.00 6.464193439e+00 1.564773065e+01 2.011580289e+01 2.02 5.691262010e+00 1.423364908e+01 1.841690716e+01 2.04 4.981610114e+00 1.292422832e+01 1.683954258e+01 2.06 4.330376653e+00 1.171206972e+01 1.537511689e+01 2.08 3.733108200e+00 1.059030017e+01 1.401574018e+01 2.10 3.185705158e+00 9.552528153e+00 1.275415534e+01 2.12 2.684383870e+00 8.592812939e+00 1.158365397e+01 2.14 2.225647812e+00 7.705641072e+00 1.049800305e+01 2.16 1.806258976e+00 6.885904077e+00 9.491392653e+00 2.18 1.423215051e+00 6.128864116e+00 8.558397507e+00 2.20 1.073716953e+00 5.430112269e+00 7.693937412e+00 2.22 7.551480669e-01 4.785521500e+00 6.893252903e+00 2.24 4.650607075e-01 4.191211736e+00 6.151878902e+00 2.26 2.011721567e-01 3.643530583e+00 5.465638219e+00 2.28 -3.862761229e-02 3.139043032e+00 4.830639799e+00 2.30 -2.561560652e-01 2.674529861e+00 4.243280336e+00 2.32 -4.529929470e-01 2.246973680e+00 3.700230746e+00 2.34 -6.306147838e-01 1.853555392e+00 3.198413731e+00 2.36 -7.903998207e-01 1.491650308e+00 2.734975093e+00 2.38 -9.336330582e-01 1.158833833e+00 2.307255771e+00 2.40 -1.061515484e+00 8.528859457e-01 1.912777207e+00 2.42 -1.175175479e+00 5.717882916e-01 1.549232976e+00 2.44 -1.275681515e+00 3.137104153e-01 1.214486032e+00 2.46 -1.364053070e+00 7.698446720e-02 9.065592679e-01 2.48 -1.441266999e+00 -1.399196019e-01 6.236207554e-01 2.50 -1.508258130e+00 -3.383549390e-01 3.639588725e-01 2.52 -1.565915351e+00 -5.194738092e-01 1.259584903e-01 2.54 -1.615075966e+00 -6.843591415e-01 -9.192455270e-02 2.56 -1.656524144e+00 -8.340391097e-01 -2.911600082e-01 2.58 -1.690987359e+00 -9.694864783e-01 -4.730628344e-01 2.60 -1.719139931e+00 -1.091620284e+00 -6.388741829e-01 2.62 -1.741602275e+00 -1.201309875e+00 -7.897840480e-01 2.64 -1.758941421e+00 -1.299383606e+00 -9.269079709e-01 2.66 -1.771669555e+00 -1.386633528e+00 -1.051265304e+00 2.68 -1.780246455e+00 -1.463825518e+00 -1.163775743e+00 2.70 -1.785083726e+00 -1.531705029e+00 -1.265264911e+00 2.72 -1.786551279e+00 -1.591000501e+00 -1.356479009e+00 2.74 -1.784984266e+00 -1.642422315e+00 -1.438102466e+00 2.76 -1.780689048e+00 -1.686656710e+00 -1.510774205e+00 2.78 -1.773947283e+00 -1.724355372e+00 -1.575099916e+00 2.80 -1.765052034e+00 -1.756125635e+00 -1.631659996e+00 2.82 -1.754268265e+00 -1.782519038e+00 -1.681011921e+00 2.84 -1.741744476e+00 -1.804028906e+00 -1.723689901e+00 2.86 -1.727624827e+00 -1.821091293e+00 -1.760201595e+00 2.88 -1.712051028e+00 -1.834090844e+00 -1.791024276e+00 2.90 -1.695158774e+00 -1.843368961e+00 -1.816601930e+00 2.92 -1.677078084e+00 -1.849232182e+00 -1.837344341e+00 2.94 -1.657932877e+00 -1.851959406e+00 -1.853628294e+00 2.96 -1.637789171e+00 -1.851807373e+00 -1.865799442e+00 2.98 -1.616636692e+00 -1.849014474e+00 -1.874179878e+00 3.00 -1.594481275e+00 -1.843803239e+00 -1.879065507e+00 3.02 -1.571348435e+00 -1.836381999e+00 -1.880734302e+00 3.04 -1.547278673e+00 -1.826949200e+00 -1.879448486e+00 3.06 -1.522323606e+00 -1.815741590e+00 -1.875457826e+00 3.08 -1.496542895e+00 -1.802903825e+00 -1.869002730e+00 3.10 -1.470001894e+00 -1.788545921e+00 -1.860316934e+00 3.12 -1.442769897e+00 -1.772781110e+00 -1.849629407e+00 3.14 -1.414918814e+00 -1.755726734e+00 -1.837211059e+00 3.16 -1.386522107e+00 -1.737499963e+00 -1.823272960e+00 3.18 -1.357653857e+00 -1.718218996e+00 -1.807974594e+00 3.20 -1.328387927e+00 -1.698000881e+00 -1.791474566e+00 3.22 -1.298797279e+00 -1.676929662e+00 -1.773924984e+00 3.24 -1.268953552e+00 -1.655021067e+00 -1.755465304e+00 3.26 -1.238926981e+00 -1.632298632e+00 -1.736219665e+00 3.28 -1.208786656e+00 -1.608803643e+00 -1.716295495e+00 3.30 -1.178600981e+00 -1.584590977e+00 -1.695776528e+00 3.32 -1.148438140e+00 -1.559724838e+00 -1.674670968e+00 3.34 -1.118366037e+00 -1.534274418e+00 -1.652957224e+00 3.36 -1.088453026e+00 -1.508309825e+00 -1.630624463e+00 3.38 -1.058765310e+00 -1.481898742e+00 -1.607671823e+00 3.40 -1.029366591e+00 -1.455104036e+00 -1.584107433e+00 3.42 -1.000315579e+00 -1.427983211e+00 -1.559947318e+00 3.44 -9.716654088e-01 -1.400587489e+00 -1.535214265e+00 3.46 -9.434602408e-01 -1.372962991e+00 -1.509936778e+00 3.48 -9.157359573e-01 -1.345151457e+00 -1.484148234e+00 3.50 -8.885194497e-01 -1.317191146e+00 -1.457885664e+00 3.52 -8.618303905e-01 -1.289117584e+00 -1.431192365e+00 3.54 -8.356800500e-01 -1.260964122e+00 -1.404113431e+00 3.56 -8.100736275e-01 -1.232762300e+00 -1.376699194e+00 3.58 -7.850107373e-01 -1.204542068e+00 -1.349004574e+00 3.60 -7.604861927e-01 -1.176331905e+00 -1.321089062e+00 3.62 -7.364907016e-01 -1.148158901e+00 -1.293016244e+00 3.64 -7.130114830e-01 -1.120048848e+00 -1.264852710e+00 3.66 -6.900328114e-01 -1.092026399e+00 -1.236666326e+00 3.68 -6.675364981e-01 -1.064115346e+00 -1.208524028e+00 3.70 -6.455023281e-01 -1.036339080e+00 -1.180489446e+00 3.72 -6.239084861e-01 -1.008721243e+00 -1.152620762e+00 3.74 -6.027320211e-01 -9.812865881e-01 -1.124969149e+00 3.76 -5.819494065e-01 -9.540619761e-01 -1.097577986e+00 3.78 -5.615372531e-01 -9.270774093e-01 -1.070482865e+00 3.80 -5.414732256e-01 -9.003669098e-01 -1.043712216e+00 3.82 -5.217371914e-01 -8.739690258e-01 -1.017288309e+00 3.84 -5.023126004e-01 -8.479267352e-01 -9.912283848e-01 3.86 -4.831880500e-01 -8.222865753e-01 -9.655457193e-01 3.88 -4.643589325e-01 -7.970969497e-01 -9.402505030e-01 3.90 -4.458289962e-01 -7.724057375e-01 -9.153505041e-01 3.92 -4.276113309e-01 -7.482572061e-01 -8.908511047e-01 3.94 -4.097301313e-01 -7.246904864e-01 -8.667573065e-01 3.96 -3.922187747e-01 -7.017352785e-01 -8.430711297e-01 3.98 -3.751198285e-01 -6.794117254e-01 -8.197936015e-01 4.00 -3.584823927e-01 -6.577294749e-01 -7.969242357e-01 4.02 -3.423588004e-01 -6.366880480e-01 -7.744610010e-01 4.04 -3.268006782e-01 -6.162779512e-01 -7.524002815e-01 4.06 -3.118548585e-01 -5.964822615e-01 -7.307368423e-01 4.08 -2.975596977e-01 -5.772784024e-01 -7.094638125e-01 4.10 -2.839422910e-01 -5.586389743e-01 -6.885726943e-01 4.12 -2.710169025e-01 -5.405370993e-01 -6.680534098e-01 4.14 -2.587847030e-01 -5.229416770e-01 -6.478943955e-01 4.16 -2.472346809e-01 -5.058226205e-01 -6.280827591e-01 4.18 -2.363454341e-01 -4.891504653e-01 -6.086045127e-01 4.20 -2.260867910e-01 -4.728969215e-01 -5.894449009e-01 4.22 -2.164251380e-01 -4.570353029e-01 -5.705888399e-01 4.24 -2.073212243e-01 -4.415408956e-01 -5.520214822e-01 4.26 -1.987353711e-01 -4.263913169e-01 -5.337289193e-01 4.28 -1.906282231e-01 -4.115669020e-01 -5.156990185e-01 4.30 -1.829619214e-01 -3.970511337e-01 -4.979223805e-01 4.32 -1.757008831e-01 -3.828311108e-01 -4.803933763e-01 4.34 -1.688122495e-01 -3.688980261e-01 -4.631111994e-01 4.36 -1.622659353e-01 -3.552476023e-01 -4.460808352e-01 4.38 -1.560352257e-01 -3.418804161e-01 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-1.638776336e-01 -2.033210731e-01 4.76 -7.630065104e-02 -1.576759359e-01 -1.956258031e-01 4.78 -7.346174739e-02 -1.517729623e-01 -1.883247616e-01 4.80 -7.071402764e-02 -1.461474936e-01 -1.813884562e-01 4.82 -6.805283105e-02 -1.407813155e-01 -1.747891371e-01 4.84 -6.547370236e-02 -1.356555256e-01 -1.685010895e-01 4.86 -6.297239319e-02 -1.307533432e-01 -1.625007673e-01 4.88 -6.054488056e-02 -1.260594023e-01 -1.567668082e-01 4.90 -5.818739052e-02 -1.215597077e-01 -1.512799624e-01 4.92 -5.589643044e-02 -1.172415550e-01 -1.460229656e-01 4.94 -5.366882985e-02 -1.130934273e-01 -1.409803780e-01 4.96 -5.150178853e-02 -1.091048829e-01 -1.361384091e-01 4.98 -4.939292932e-02 -1.052664396e-01 -1.314847380e-01 5.00 -4.734035154e-02 -1.015694633e-01 -1.270083406e-01 5.02 -4.534267928e-02 -9.800606401e-02 -1.226993281e-01 5.04 -4.339909740e-02 -9.456900161e-02 -1.185487991e-01 5.06 -4.150936726e-02 -9.125160294e-02 -1.145487083e-01 5.08 -3.967381383e-02 -8.804769017e-02 -1.106917506e-01 5.10 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-5.999618258e-02 5.46 -1.595638979e-02 -4.309230779e-02 -5.798560116e-02 5.48 -1.521454297e-02 -4.139319450e-02 -5.604056642e-02 5.50 -1.450448118e-02 -3.975520923e-02 -5.415870618e-02 5.52 -1.382394096e-02 -3.817843997e-02 -5.233771342e-02 5.54 -1.317101945e-02 -3.666274859e-02 -5.057502887e-02 5.56 -1.254417191e-02 -3.520769782e-02 -4.886913315e-02 5.58 -1.194219363e-02 -3.381250113e-02 -4.721751567e-02 5.60 -1.136418779e-02 -3.247599875e-02 -4.561808119e-02 5.62 -1.080952104e-02 -3.119665972e-02 -4.406877547e-02 5.64 -1.027776940e-02 -2.997260737e-02 -4.256758121e-02 5.66 -9.768657516e-03 -2.880166310e-02 -4.111251414e-02 5.68 -9.281995126e-03 -2.768140273e-02 -3.970161936e-02 5.70 -8.817614959e-03 -2.660921884e-02 -3.833296790e-02 5.72 -8.375316253e-03 -2.558238360e-02 -3.700465362e-02 5.74 -7.954817597e-03 -2.459810677e-02 -3.571478780e-02 5.76 -7.555721861e-03 -2.365351928e-02 -3.446129730e-02 5.78 -7.177494691e-03 -2.274580776e-02 -3.324224720e-02 5.80 -6.819456641e-03 -2.187229121e-02 -3.205585800e-02 5.82 -6.480787755e-03 -2.103038563e-02 -3.090035808e-02 5.84 -6.160542385e-03 -2.021761365e-02 -2.977398599e-02 5.86 -5.857671474e-03 -1.943161604e-02 -2.867499391e-02 5.88 -5.571049381e-03 -1.867015860e-02 -2.760165281e-02 5.90 -5.299502508e-03 -1.793113585e-02 -2.655225938e-02 5.92 -5.041837495e-03 -1.721257293e-02 -2.552514530e-02 5.94 -4.796867328e-03 -1.651262708e-02 -2.451868897e-02 5.96 -4.563434329e-03 -1.582958968e-02 -2.353132701e-02 5.98 -4.340429582e-03 -1.516188966e-02 -2.256155400e-02 6.00 -4.126808740e-03 -1.450809888e-02 -2.160798801e-02