# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--LAMMPS--ipr1 # composition = Co3Mn # 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 2022-05-24 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 2.463975672e+02 nan nan 0.86 2.310581417e+02 nan nan 0.88 2.165535500e+02 nan nan 0.90 2.028438027e+02 nan nan 0.92 1.898905425e+02 2.442656832e+02 nan 0.94 1.776569876e+02 2.300793345e+02 2.549740386e+02 0.96 1.661078793e+02 2.166186199e+02 2.403724876e+02 0.98 1.552094310e+02 2.038501756e+02 2.265194880e+02 1.00 1.449292799e+02 1.917420244e+02 2.133797004e+02 1.02 1.352364395e+02 1.802635188e+02 2.009193229e+02 1.04 1.261012542e+02 1.693852885e+02 1.891060311e+02 1.06 1.174953549e+02 1.590791897e+02 1.779089198e+02 1.08 1.093916156e+02 1.493182582e+02 1.672984471e+02 1.10 1.017641106e+02 1.400766640e+02 1.572463793e+02 1.12 9.458807348e+01 1.313296683e+02 1.477257391e+02 1.14 8.783985583e+01 1.230535824e+02 1.387107544e+02 1.16 8.149688760e+01 1.152257281e+02 1.301768094e+02 1.18 7.553763787e+01 1.078244003e+02 1.221003972e+02 1.20 6.994157653e+01 1.008288299e+02 1.144590744e+02 1.22 6.468913672e+01 9.421914914e+01 1.072314170e+02 1.24 5.976167810e+01 8.797635740e+01 1.003969777e+02 1.26 5.514145093e+01 8.208228860e+01 9.393624562e+01 1.28 5.081156105e+01 7.651957945e+01 8.783060644e+01 1.30 4.675593565e+01 7.127163880e+01 8.206230472e+01 1.32 4.295928996e+01 6.632261795e+01 7.661440737e+01 1.34 3.940709476e+01 6.165738190e+01 7.147076860e+01 1.36 3.608554492e+01 5.726148158e+01 6.661599611e+01 1.38 3.298152866e+01 5.312112684e+01 6.203541864e+01 1.40 3.008259790e+01 4.922316034e+01 5.771505474e+01 1.42 2.737693937e+01 4.555503234e+01 5.364158280e+01 1.44 2.485334676e+01 4.210477618e+01 4.980231224e+01 1.46 2.250119370e+01 3.886098460e+01 4.618515579e+01 1.48 2.031040767e+01 3.581278688e+01 4.277860292e+01 1.50 1.827144482e+01 3.294982665e+01 3.957169436e+01 1.52 1.637526567e+01 3.026224050e+01 3.655399757e+01 1.54 1.461331168e+01 2.774063727e+01 3.371558325e+01 1.56 1.297748271e+01 2.537607809e+01 3.104700281e+01 1.58 1.146011534e+01 2.316005707e+01 2.853926675e+01 1.60 1.005396195e+01 2.108448271e+01 2.618382394e+01 1.62 8.752170751e+00 1.914165993e+01 2.397254173e+01 1.64 7.548266481e+00 1.732427277e+01 2.189768694e+01 1.66 6.436131981e+00 1.562536773e+01 1.995190759e+01 1.68 5.409990477e+00 1.403833772e+01 1.812821545e+01 1.70 4.464388640e+00 1.255690657e+01 1.641996928e+01 1.72 3.594180336e+00 1.117511423e+01 1.482085882e+01 1.74 2.794511105e+00 9.887302376e+00 1.332488945e+01 1.76 2.060803290e+00 8.688100765e+00 1.192636750e+01 1.78 1.388741848e+00 7.572413973e+00 1.061988619e+01 1.80 7.742607775e-01 6.535408728e+00 9.400312201e+00 1.82 2.135301720e-01 5.572501742e+00 8.262772813e+00 1.84 -2.970561461e-01 4.679348031e+00 7.202643603e+00 1.86 -7.608924065e-01 3.851829711e+00 6.215536689e+00 1.88 -1.181172137e+00 3.086045261e+00 5.297289488e+00 1.90 -1.560898867e+00 2.378299232e+00 4.443953968e+00 1.92 -1.902896331e+00 1.725092387e+00 3.651786382e+00 1.94 -2.209818180e+00 1.123112261e+00 2.917237453e+00 1.96 -2.484157223e+00 5.692241246e-01 2.236943005e+00 1.98 -2.728254215e+00 6.046233714e-02 1.607715008e+00 2.00 -2.944306221e+00 -4.059779241e-01 1.026533027e+00 2.02 -3.134374557e+00 -8.327485719e-01 4.905360610e-01 2.04 -3.300392339e+00 -1.222356170e+00 -2.985251224e-03 2.06 -3.444171657e+00 -1.577169153e+00 -4.565960706e-01 2.08 -3.567410374e+00 -1.899424732e+00 -8.727244555e-01 2.10 -3.671698592e+00 -2.191235476e+00 -1.253668136e+00 2.12 -3.758524775e+00 -2.454595607e+00 -1.601600976e+00 2.14 -3.829281565e+00 -2.691386998e+00 -1.918579138e+00 2.16 -3.885271292e+00 -2.903384904e+00 -2.206546958e+00 2.18 -3.927711190e+00 -3.092263418e+00 -2.467342559e+00 2.20 -3.957738353e+00 -3.259600680e+00 -2.702703188e+00 2.22 -3.976414499e+00 -3.406883840e+00 -2.914270313e+00 2.24 -3.984731059e+00 -3.535513790e+00 -3.103594483e+00 2.26 -3.983610442e+00 -3.646809664e+00 -3.272139948e+00 2.28 -3.973913472e+00 -3.742013130e+00 -3.421289078e+00 2.30 -3.956442571e+00 -3.822292480e+00 -3.552346552e+00 2.32 -3.931944035e+00 -3.888746511e+00 -3.666543369e+00 2.34 -3.901111984e+00 -3.942408230e+00 -3.765040653e+00 2.36 -3.864591526e+00 -3.984248375e+00 -3.848933284e+00 2.38 -3.822981761e+00 -4.015178759e+00 -3.919253353e+00 2.40 -3.776838612e+00 -4.036055454e+00 -3.976973447e+00 2.42 -3.726677498e+00 -4.047681822e+00 -4.023009784e+00 2.44 -3.672975857e+00 -4.050811385e+00 -4.058225191e+00 2.46 -3.616178326e+00 -4.046150561e+00 -4.083431933e+00 2.48 -3.556726128e+00 -4.034361259e+00 -4.099394420e+00 2.50 -3.494972228e+00 -4.016063344e+00 -4.106831761e+00 2.52 -3.431201346e+00 -3.991836977e+00 -4.106420211e+00 2.54 -3.365786233e+00 -3.962224835e+00 -4.098795488e+00 2.56 -3.299033077e+00 -3.927734223e+00 -4.084554997e+00 2.58 -3.231342196e+00 -3.888839070e+00 -4.064260096e+00 2.60 -3.162912667e+00 -3.845981827e+00 -4.038437607e+00 2.62 -3.093633529e+00 -3.799575268e+00 -4.007581558e+00 2.64 -3.023961267e+00 -3.750004191e+00 -3.972156356e+00 2.66 -2.954086217e+00 -3.697627038e+00 -3.932597173e+00 2.68 -2.884181783e+00 -3.642777425e+00 -3.889311960e+00 2.70 -2.814405592e+00 -3.585765627e+00 -3.842682990e+00 2.72 -2.744900583e+00 -3.526894491e+00 -3.793068321e+00 2.74 -2.675796024e+00 -3.466512861e+00 -3.740803183e+00 2.76 -2.607208475e+00 -3.404773840e+00 -3.686201293e+00 2.78 -2.539242687e+00 -3.341790007e+00 -3.629556105e+00 2.80 -2.471992445e+00 -3.277890075e+00 -3.571141993e+00 2.82 -2.405541364e+00 -3.213270468e+00 -3.511215372e+00 2.84 -2.339963627e+00 -3.148112438e+00 -3.450015759e+00 2.86 -2.275324684e+00 -3.082583001e+00 -3.387766780e+00 2.88 -2.211681906e+00 -3.016835816e+00 -3.324677121e+00 2.90 -2.149085191e+00 -2.951012018e+00 -3.260941422e+00 2.92 -2.087577542e+00 -2.885241007e+00 -3.196741134e+00 2.94 -2.027195596e+00 -2.819641187e+00 -3.132245313e+00 2.96 -1.967970129e+00 -2.754320674e+00 -3.067611378e+00 2.98 -1.909926522e+00 -2.689377949e+00 -3.002985820e+00 3.00 -1.853085199e+00 -2.624902493e+00 -2.938504872e+00 3.02 -1.797462035e+00 -2.560975368e+00 -2.874295130e+00 3.04 -1.743068736e+00 -2.497669778e+00 -2.810474142e+00 3.06 -1.689913197e+00 -2.435051589e+00 -2.747150952e+00 3.08 -1.637999831e+00 -2.373179826e+00 -2.684426609e+00 3.10 -1.587329881e+00 -2.312107139e+00 -2.622394633e+00 3.12 -1.537901705e+00 -2.251880236e+00 -2.561150589e+00 3.14 -1.489711046e+00 -2.192540302e+00 -2.501753338e+00 3.16 -1.442751280e+00 -2.134123382e+00 -2.448222078e+00 3.18 -1.397013648e+00 -2.076660749e+00 -2.398298461e+00 3.20 -1.352487474e+00 -2.020179248e+00 -2.340036419e+00 3.22 -1.309160358e+00 -1.964701618e+00 -2.282665186e+00 3.24 -1.267018368e+00 -1.910246794e+00 -2.226404573e+00 3.26 -1.226046211e+00 -1.856830197e+00 -2.171301789e+00 3.28 -1.186227386e+00 -1.804463995e+00 -2.117399673e+00 3.30 -1.147544340e+00 -1.753157363e+00 -2.064736866e+00 3.32 -1.109978597e+00 -1.702916709e+00 -2.013347934e+00 3.34 -1.073510887e+00 -1.653745902e+00 -1.963263471e+00 3.36 -1.038121260e+00 -1.605646479e+00 -1.914510148e+00 3.38 -1.003789195e+00 -1.558617836e+00 -1.867110739e+00 3.40 -9.704936955e-01 -1.512657411e+00 -1.821084088e+00 3.42 -9.382133815e-01 -1.467760857e+00 -1.776445054e+00 3.44 -9.069265719e-01 -1.423922197e+00 -1.733204395e+00 3.46 -8.766113598e-01 -1.381133975e+00 -1.691368631e+00 3.48 -8.472456824e-01 -1.339387396e+00 -1.650939844e+00 3.50 -8.188073842e-01 -1.298672455e+00 -1.611915462e+00 3.52 -7.912742745e-01 -1.258978056e+00 -1.574287993e+00 3.54 -7.646241802e-01 -1.220292128e+00 -1.538044745e+00 3.56 -7.388349930e-01 -1.182601731e+00 -1.503167517e+00 3.58 -7.138847129e-01 -1.145893150e+00 -1.469632301e+00 3.60 -6.897053382e-01 -1.110151988e+00 -1.437408979e+00 3.62 -6.582905281e-01 -1.075363254e+00 -1.406461060e+00 3.64 -6.405832837e-01 -1.041511437e+00 -1.376745470e+00 3.66 -8.440341439e-01 -1.008580581e+00 -1.348212419e+00 3.68 -7.912967888e-01 -9.765543529e-01 -1.320805369e+00 3.70 -7.701761199e-01 -9.454161053e-01 -1.294461144e+00 3.72 -7.495656294e-01 -9.151489339e-01 -1.269110198e+00 3.74 -7.294570747e-01 -8.857357316e-01 -1.244677078e+00 3.76 -7.098420400e-01 -8.571592372e-01 -1.221081102e+00 3.78 -6.907119658e-01 -8.294020816e-01 -1.198237278e+00 3.80 -6.720581763e-01 -8.024468292e-01 -1.176057491e+00 3.82 -6.538719051e-01 -7.762769594e-01 -1.154451958e+00 3.84 -6.361443180e-01 -7.509832004e-01 -1.133330972e+00 3.86 -6.188665350e-01 -7.268784337e-01 -1.112606899e+00 3.88 -6.020296497e-01 -7.016584472e-01 -1.092196402e+00 3.90 -5.856247476e-01 -6.751248673e-01 -1.072022806e+00 3.92 -5.696429225e-01 -6.539332976e-01 -1.052018457e+00 3.94 -5.540738139e-01 -6.333461194e-01 -1.032126914e+00 3.96 -5.376774014e-01 -6.133495276e-01 -1.012304764e+00 3.98 -5.111253265e-01 -5.939298236e-01 -9.925228211e-01 4.00 -4.543060447e-01 -5.750734301e-01 -9.727665546e-01 4.02 -3.596987521e-01 -5.567669046e-01 -9.530356113e-01 4.04 -3.400667706e-01 -5.389969519e-01 -9.333424409e-01 4.06 -3.318473343e-01 -5.217504345e-01 -9.137101298e-01 4.08 -3.238154332e-01 -5.050143825e-01 -8.941696627e-01 4.10 -3.159674284e-01 -4.887760027e-01 -8.747569010e-01 4.12 -3.082997139e-01 -4.730226856e-01 -8.555095872e-01 4.14 -3.008087190e-01 -4.577420127e-01 -8.364646616e-01 4.16 -2.934909104e-01 -4.429217623e-01 -8.176561056e-01 4.18 -2.863427936e-01 -4.285499143e-01 -7.991134346e-01 4.20 -2.793609150e-01 -4.146146545e-01 -7.808608653e-01 4.22 -2.725418632e-01 -4.011043787e-01 -7.629170955e-01 4.24 -2.658822702e-01 -3.880076950e-01 -7.452955748e-01 4.26 -2.593788127e-01 -3.753134267e-01 -7.280051114e-01 4.28 -2.530282130e-01 -3.630106135e-01 -7.110506586e-01 4.30 -2.468272399e-01 -3.510885134e-01 -6.944341450e-01 4.32 -2.407727096e-01 -3.395366030e-01 -6.781552488e-01 4.34 -2.348614861e-01 -3.283445782e-01 -6.622120536e-01 4.36 -2.290904818e-01 -3.175023538e-01 -6.466015624e-01 4.38 -2.234566580e-01 -3.070000633e-01 -6.313200726e-01 4.40 -2.179570250e-01 -2.968280582e-01 -6.163634330e-01 4.42 -2.121201158e-01 -2.865021379e-01 -6.010196523e-01 4.44 -2.000364871e-01 -2.700492792e-01 -5.759407905e-01 4.46 -1.663688020e-01 -2.307097249e-01 -5.099928913e-01 4.48 -9.110066572e-02 -1.370641487e-01 -3.233276103e-01 4.50 -6.370990020e-23 -2.161210395e-22 -1.919578595e-22 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00