# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--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 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 -4.400690284e+02 nan nan 0.96 -4.121797847e+02 nan nan 0.98 -3.865643836e+02 nan nan 1.00 -3.627787850e+02 nan nan 1.02 -3.405524335e+02 nan nan 1.04 -3.197397671e+02 -4.223817311e+02 nan 1.06 -3.002739469e+02 -3.979598166e+02 -4.345182609e+02 1.08 -2.821634167e+02 -3.754510339e+02 -4.096501401e+02 1.10 -2.655373128e+02 -3.545496380e+02 -3.866378654e+02 1.12 -2.501854694e+02 -3.350792291e+02 -3.650761481e+02 1.14 -2.359144510e+02 -3.168707546e+02 -3.447037099e+02 1.16 -2.222767242e+02 -2.995536193e+02 -3.254364613e+02 1.18 -2.091967461e+02 -2.829830812e+02 -3.073479187e+02 1.20 -1.965577543e+02 -2.669725160e+02 -2.905070596e+02 1.22 -1.844668629e+02 -2.515728552e+02 -2.748530029e+02 1.24 -1.729497948e+02 -2.371623432e+02 -2.603569200e+02 1.26 -1.620533450e+02 -2.240510836e+02 -2.468642366e+02 1.28 -1.516479092e+02 -2.119953298e+02 -2.342581447e+02 1.30 -1.415640836e+02 -2.008784901e+02 -2.224058167e+02 1.32 -1.317576820e+02 -1.904956402e+02 -2.111520627e+02 1.34 -1.223135047e+02 -1.807490374e+02 -2.004808622e+02 1.36 -1.131419078e+02 -1.713749820e+02 -1.902138461e+02 1.38 -1.042574929e+02 -1.622373247e+02 -1.803002529e+02 1.40 -9.576360441e+01 -1.531191826e+02 -1.707593566e+02 1.42 -8.763679916e+01 -1.441132649e+02 -1.615450082e+02 1.44 -7.981798841e+01 -1.352484046e+02 -1.526255832e+02 1.46 -7.218706296e+01 -1.264387893e+02 -1.437818245e+02 1.48 -6.482498017e+01 -1.177337292e+02 -1.349969152e+02 1.50 -5.775347500e+01 -1.090697256e+02 -1.263515879e+02 1.52 -5.100116110e+01 -1.004377455e+02 -1.179793986e+02 1.54 -4.449644484e+01 -9.188420329e+01 -1.099601165e+02 1.56 -3.824312230e+01 -8.350713898e+01 -1.021876812e+02 1.58 -3.224402585e+01 -7.543761010e+01 -9.466602779e+01 1.60 -2.657820471e+01 -6.782451778e+01 -8.733893414e+01 1.62 -2.134398434e+01 -6.074786944e+01 -8.017839258e+01 1.64 -1.660953270e+01 -5.416317927e+01 -7.317398263e+01 1.66 -1.237351787e+01 -4.797257499e+01 -6.634811783e+01 1.68 -8.822406746e+00 -4.221287287e+01 -5.960326033e+01 1.70 -6.228965662e+00 -3.682009785e+01 -5.310754464e+01 1.72 -4.437330379e+00 -3.175659165e+01 -4.685443000e+01 1.74 -3.239693639e+00 -2.695646830e+01 -4.085029300e+01 1.76 -2.503364204e+00 -2.240116235e+01 -3.517642227e+01 1.78 -2.103047503e+00 -1.812807041e+01 -2.984873533e+01 1.80 -1.938410295e+00 -1.418592613e+01 -2.489529100e+01 1.82 -1.938864419e+00 -1.071994440e+01 -2.032453553e+01 1.84 -2.044190341e+00 -7.783469516e+00 -1.636454902e+01 1.86 -2.210948792e+00 -5.627614444e+00 -1.299908948e+01 1.88 -2.409517902e+00 -4.115624648e+00 -1.009252566e+01 1.90 -2.621665869e+00 -3.092018062e+00 -7.514910963e+00 1.92 -2.838025777e+00 -2.439382362e+00 -5.437227800e+00 1.94 -3.050485405e+00 -2.066320052e+00 -3.910967631e+00 1.96 -3.235541407e+00 -1.897816621e+00 -2.827924794e+00 1.98 -3.401114612e+00 -1.871717920e+00 -2.103294307e+00 2.00 -3.537684876e+00 -1.935101342e+00 -1.660559566e+00 2.02 -3.650923491e+00 -2.053210095e+00 -1.441332265e+00 2.04 -3.750831558e+00 -2.211773961e+00 -1.407682092e+00 2.06 -3.840633558e+00 -2.390329158e+00 -1.505684011e+00 2.08 -3.922090915e+00 -2.577163315e+00 -1.691905163e+00 2.10 -3.995754515e+00 -2.765852161e+00 -1.929366269e+00 2.12 -4.061896368e+00 -2.956422395e+00 -2.190455911e+00 2.14 -4.116492513e+00 -3.132779625e+00 -2.452318494e+00 2.16 -4.167049493e+00 -3.307935070e+00 -2.705698281e+00 2.18 -4.211520598e+00 -3.473469300e+00 -2.939425418e+00 2.20 -4.241696761e+00 -3.626110992e+00 -3.146628966e+00 2.22 -4.266184606e+00 -3.762479417e+00 -3.327665806e+00 2.24 -4.281320606e+00 -3.882367335e+00 -3.490188058e+00 2.26 -4.285004482e+00 -3.986340791e+00 -3.641182332e+00 2.28 -4.277647918e+00 -4.075094691e+00 -3.765312117e+00 2.30 -4.260048172e+00 -4.149877565e+00 -3.888627432e+00 2.32 -4.232833456e+00 -4.212410958e+00 -3.999782540e+00 2.34 -4.196476547e+00 -4.254400327e+00 -4.097925698e+00 2.36 -4.151380419e+00 -4.290349524e+00 -4.182748292e+00 2.38 -4.098189237e+00 -4.316938704e+00 -4.254267805e+00 2.40 -4.038010007e+00 -4.325899601e+00 -4.312715372e+00 2.42 -3.972230671e+00 -4.330902784e+00 -4.358478730e+00 2.44 -3.902380795e+00 -4.328272221e+00 -4.392343451e+00 2.46 -3.829881001e+00 -4.319066082e+00 -4.413038255e+00 2.48 -3.755924151e+00 -4.304049624e+00 -4.425068135e+00 2.50 -3.681677226e+00 -4.283888176e+00 -4.429060319e+00 2.52 -3.608091325e+00 -4.259118003e+00 -4.426049283e+00 2.54 -3.535798539e+00 -4.229855757e+00 -4.415992699e+00 2.56 -3.462464655e+00 -4.196215219e+00 -4.398664316e+00 2.58 -3.392164460e+00 -4.158360199e+00 -4.373887667e+00 2.60 -3.324113920e+00 -4.114962511e+00 -4.342163919e+00 2.62 -3.258616574e+00 -4.068325206e+00 -4.304291735e+00 2.64 -3.196921583e+00 -4.018009706e+00 -4.261211864e+00 2.66 -3.139528560e+00 -3.964373724e+00 -4.214057443e+00 2.68 -3.086674253e+00 -3.907642557e+00 -4.164163850e+00 2.70 -3.033237636e+00 -3.848015143e+00 -4.103285361e+00 2.72 -2.984237415e+00 -3.785757302e+00 -4.045465594e+00 2.74 -2.930880911e+00 -3.721170634e+00 -3.986376777e+00 2.76 -2.866472892e+00 -3.654584762e+00 -3.926471236e+00 2.78 -2.785943687e+00 -3.586505106e+00 -3.865902956e+00 2.80 -2.685722837e+00 -3.517662209e+00 -3.804821579e+00 2.82 -2.563368124e+00 -3.448863163e+00 -3.743371063e+00 2.84 -2.417435341e+00 -3.380868784e+00 -3.681690604e+00 2.86 -2.247260290e+00 -3.314300532e+00 -3.619999859e+00 2.88 -2.052526958e+00 -3.249544473e+00 -3.558600639e+00 2.90 -1.833823981e+00 -3.186764526e+00 -3.497839673e+00 2.92 -1.596440675e+00 -3.125864978e+00 -3.438070478e+00 2.94 -1.349234589e+00 -3.066374567e+00 -3.379628492e+00 2.96 -1.099782673e+00 -3.007706779e+00 -3.322825635e+00 2.98 -8.546158706e-01 -2.947605800e+00 -3.267973885e+00 3.00 -6.159146558e-01 -2.881685774e+00 -3.214020003e+00 3.02 -3.908141207e-01 -2.806489974e+00 -3.158257716e+00 3.04 -1.854605463e-01 -2.721238199e+00 -3.099108449e+00 3.06 -1.937957813e-03 -2.622257555e+00 -3.031227447e+00 3.08 1.573472621e-01 -2.507045184e+00 -2.950842433e+00 3.10 2.914442286e-01 -2.373149386e+00 -2.854919495e+00 3.12 4.010316196e-01 -2.218482375e+00 -2.741511834e+00 3.14 4.883430631e-01 -2.033055774e+00 -2.609788808e+00 3.16 5.566982034e-01 -1.827766445e+00 -2.459926917e+00 3.18 6.097445124e-01 -1.598213280e+00 -2.292903958e+00 3.20 6.508129461e-01 -1.351203729e+00 -2.109912521e+00 3.22 6.904244167e-01 -1.095879217e+00 -1.912584076e+00 3.24 7.191805436e-01 -8.412640245e-01 -1.705809753e+00 3.26 7.428092922e-01 -5.959005547e-01 -1.495318092e+00 3.28 7.620133083e-01 -3.672924492e-01 -1.285539732e+00 3.30 7.772443437e-01 -1.611930434e-01 -1.079898913e+00 3.32 7.888702391e-01 1.901713627e-02 -8.810506450e-01 3.34 7.987954224e-01 1.725723894e-01 -6.910337210e-01 3.36 8.052223505e-01 3.009613139e-01 -5.113688387e-01 3.38 8.094547987e-01 4.072036087e-01 -3.431187922e-01 3.40 8.118515807e-01 4.949548795e-01 -1.869477266e-01 3.42 8.127189111e-01 5.676512161e-01 -4.321449662e-02 3.44 8.122862110e-01 6.281249166e-01 8.795314482e-02 3.46 8.107585141e-01 6.784893430e-01 2.065931284e-01 3.48 7.989078076e-01 7.202284906e-01 3.240338962e-01 3.50 7.907797061e-01 7.543833570e-01 4.241986343e-01 3.52 7.809114965e-01 7.817449740e-01 5.143349153e-01 3.54 7.694434303e-01 8.030064172e-01 5.949529008e-01 3.56 7.565087456e-01 8.188540951e-01 6.665400409e-01 3.58 7.422344502e-01 8.299946310e-01 7.295407569e-01 3.60 7.267415300e-01 8.371432095e-01 7.843411710e-01 3.62 7.101447144e-01 8.410119701e-01 8.312589963e-01 3.64 6.925531296e-01 8.422959695e-01 8.705408027e-01 3.66 6.740701666e-01 8.416437737e-01 9.023680382e-01 3.68 6.547939627e-01 8.355585144e-01 9.268715163e-01 3.70 6.348179463e-01 8.297889325e-01 9.441658476e-01 3.72 6.142310847e-01 8.224572013e-01 9.544211807e-01 3.74 5.931179928e-01 8.137651459e-01 9.579275772e-01 3.76 5.715576313e-01 8.038647461e-01 9.551538025e-01 3.78 5.496157325e-01 7.928614445e-01 9.467931358e-01 3.80 5.273533575e-01 7.808175539e-01 9.337715601e-01 3.82 5.048277348e-01 7.677548034e-01 9.171980639e-01 3.84 4.820933086e-01 7.536572491e-01 8.982506781e-01 3.86 4.592017923e-01 7.384879759e-01 8.780321772e-01 3.88 4.362006651e-01 7.223083006e-01 8.575420200e-01 3.90 4.131438141e-01 7.052358235e-01 8.375303368e-01 3.92 3.901162235e-01 6.873857150e-01 8.183791312e-01 3.94 3.672069336e-01 6.688664067e-01 8.001093038e-01 3.96 3.445035207e-01 6.497768092e-01 7.824951550e-01 3.98 3.220921511e-01 6.302116536e-01 7.651892198e-01 4.00 3.000570481e-01 6.102617826e-01 7.478265439e-01 4.02 2.784812064e-01 5.900144250e-01 7.301012686e-01 4.04 2.574461652e-01 5.695531967e-01 7.118091151e-01 4.06 2.370298512e-01 5.489585316e-01 6.928618046e-01 4.08 2.172956596e-01 5.283072868e-01 6.732796728e-01 4.10 1.982992744e-01 5.076733585e-01 6.531704240e-01 4.12 1.800944425e-01 4.871274794e-01 6.326973628e-01 4.14 1.627308422e-01 4.667414754e-01 6.120458553e-01 4.16 1.462558180e-01 4.465910546e-01 5.914100720e-01 4.18 1.307118943e-01 4.267500043e-01 5.709916636e-01 4.20 1.161353045e-01 4.072849825e-01 5.509915767e-01 4.22 1.025490697e-01 3.882367520e-01 5.315812681e-01 4.24 8.996537282e-02 3.696359053e-01 5.129250491e-01 4.26 7.838754319e-02 3.515107977e-01 4.873046551e-01 4.28 6.779887183e-02 3.338869114e-01 4.670019809e-01 4.30 5.816263465e-02 3.167883715e-01 4.469317123e-01 4.32 4.943025483e-02 3.002366034e-01 4.271248531e-01 4.34 4.154099028e-02 2.842503977e-01 4.076103171e-01 4.36 3.442492952e-02 2.688465815e-01 3.884162498e-01 4.38 2.800602066e-02 2.540386936e-01 3.695686894e-01 4.40 2.220924858e-02 2.398375241e-01 3.510927340e-01 4.42 1.696593595e-02 2.262499480e-01 3.330115096e-01 4.44 1.222326569e-02 2.132785360e-01 3.153472060e-01 4.46 7.948351574e-03 2.009212770e-01 2.981207525e-01 4.48 4.132433367e-03 1.891703897e-01 2.813519848e-01 4.50 7.880600857e-04 1.780110693e-01 2.650590576e-01 4.52 -2.053516444e-03 1.674221358e-01 2.492594221e-01 4.54 -4.383190116e-03 1.573793681e-01 2.339670705e-01 4.56 -6.201600885e-03 1.478478676e-01 2.191854732e-01 4.58 -7.512939834e-03 1.387834567e-01 2.049140590e-01 4.60 -8.328789416e-03 1.301360754e-01 1.911515065e-01 4.62 -8.673922506e-03 1.218509909e-01 1.778948426e-01 4.64 -8.587826509e-03 1.138727000e-01 1.651399938e-01 4.66 -8.126743525e-03 1.061481183e-01 1.528818560e-01 4.68 -7.352241894e-03 9.863150992e-02 1.411138761e-01 4.70 -6.327339695e-03 9.128823570e-02 1.298289900e-01 4.72 -5.125591077e-03 8.409848965e-02 1.190192729e-01 4.74 -3.828229029e-03 7.705852503e-02 1.086755843e-01 4.76 -2.521340621e-03 7.018112861e-02 9.878862332e-02 4.78 -1.287867153e-03 6.349817840e-02 8.935544997e-02 4.80 -2.061067362e-04 5.705068486e-02 8.037932266e-02 4.82 6.507285133e-04 5.087051930e-02 7.186354519e-02 4.84 1.218202208e-03 4.498966178e-02 6.381128404e-02 4.86 1.440526795e-03 3.943750382e-02 5.622415855e-02 4.88 1.274189595e-03 3.423978770e-02 4.910446157e-02 4.90 3.586729408e-03 2.941521059e-02 4.245317672e-02 4.92 3.776728399e-03 2.497512260e-02 3.627184142e-02 4.94 3.814306237e-03 2.092277427e-02 3.056037852e-02 4.96 3.725519326e-03 1.725337925e-02 2.531931336e-02 4.98 3.541546784e-03 1.395550078e-02 2.054757270e-02 5.00 3.294154290e-03 1.101600920e-02 1.624456355e-02 5.02 3.011298152e-03 8.416849849e-03 1.240639905e-02 5.04 2.718538402e-03 6.137477068e-03 9.028841605e-03 5.06 2.437280105e-03 4.154459030e-03 6.108249446e-03 5.08 2.183052052e-03 2.444020192e-03 3.639830953e-03 5.10 1.966820399e-03 9.801386790e-04 1.615346687e-03 5.12 1.793852475e-03 -2.652159032e-04 2.275576412e-05 5.14 1.665075977e-03 -1.322244454e-03 -1.153038698e-03 5.16 1.577383641e-03 -2.224512145e-03 -1.932615491e-03 5.18 1.524242071e-03 -3.008641183e-03 -2.341317008e-03 5.20 1.497634097e-03 -1.583117675e-03 -2.411394965e-03 5.22 1.486983162e-03 -1.433210974e-03 -2.179408222e-03 5.24 1.480999778e-03 -1.103884060e-03 -1.679497380e-03 5.26 1.467427487e-03 -6.211341130e-04 -9.505076216e-04 5.28 1.432458659e-03 -1.579430749e-05 -3.854366398e-05 5.30 1.361297931e-03 6.766919667e-04 1.003370392e-03 5.32 1.237544973e-03 1.416418908e-03 2.115513111e-03 5.34 1.044444539e-03 2.161207724e-03 3.234740142e-03 5.36 7.648925138e-04 2.869133800e-03 4.298269542e-03 5.38 1.817329166e-03 3.499658504e-03 5.245381357e-03 5.40 1.819550897e-03 4.017714127e-03 6.023539335e-03 5.42 1.793352668e-03 4.396124205e-03 6.592024653e-03 5.44 1.736127271e-03 4.617090198e-03 6.924171551e-03 5.46 1.647830068e-03 4.675519745e-03 7.012361962e-03 5.48 1.531278148e-03 4.578528871e-03 6.867286432e-03 5.50 1.392146777e-03 4.345193352e-03 6.517575770e-03 5.52 1.238675560e-03 4.005175996e-03 6.007818413e-03 5.54 1.078992349e-03 3.590650668e-03 5.386105448e-03 5.56 9.177004593e-04 3.127346760e-03 4.691126798e-03 5.58 7.595361339e-04 2.639552840e-03 3.959393065e-03 5.60 6.093371457e-04 2.152314085e-03 3.228501402e-03 5.62 4.715330239e-04 1.687987818e-03 2.531992834e-03 5.64 3.497001585e-04 1.265694413e-03 1.898544224e-03 5.66 2.463123050e-04 8.995441329e-04 1.349316055e-03 5.68 1.626099420e-04 5.981602369e-04 8.972398030e-04 5.70 9.858430256e-05 3.647246545e-04 5.470866430e-04 5.72 5.305900108e-05 1.971190920e-04 2.956785106e-04 5.74 2.381867695e-05 8.882361832e-05 1.332353975e-04 5.76 7.795046663e-06 2.922282264e-05 4.383423044e-05 5.78 1.256313149e-06 4.743365515e-06 7.115048176e-06 5.80 5.028028416e-09 1.253806772e-08 1.880710159e-08 5.82 -4.047765883e-07 -1.473662530e-06 -2.210493805e-06 5.84 -4.484644372e-06 -1.670853255e-05 -2.506280009e-05 5.86 -1.674973171e-05 -6.268047146e-05 -9.402072452e-05 5.88 -4.172037723e-05 -1.561949894e-04 -2.342925888e-04 5.90 -8.391162972e-05 -3.142380477e-04 -4.713574758e-04 5.92 -1.478386778e-04 -5.538009802e-04 -8.307026345e-04 5.94 -2.380218171e-04 -8.916775326e-04 -1.337518986e-03 5.96 -3.589812715e-04 -1.344656621e-03 -2.016990037e-03 5.98 -5.152320449e-04 -1.929712255e-03 -2.894576226e-03 6.00 -2.845137798e-04 -1.287586183e-03 -1.808324666e-03