# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2001--Lee-B-J-Baskes-M-I-Kim-H-Cho-Y-K--Cr # implementation = 2001--Lee-B-J--Cr--LAMMPS--ipr1 # composition = Cr # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan 1.571682809e+02 nan nan nan nan 0.64 nan nan nan nan nan 1.485368557e+02 nan nan nan nan 0.66 nan nan nan nan nan 1.403296273e+02 nan nan 2.240455677e+02 nan 0.68 nan nan nan nan nan 1.325273784e+02 nan nan 2.102423549e+02 nan 0.70 nan nan nan nan nan 1.251116962e+02 nan nan 1.972197063e+02 nan 0.72 nan 5.620670893e+02 nan nan nan 1.180649416e+02 nan nan 1.849358962e+02 2.396251028e+02 0.74 nan 5.261414049e+02 nan nan nan 1.113702202e+02 3.319915923e+02 nan 1.733513295e+02 2.261259556e+02 0.76 nan 4.923621915e+02 nan nan nan 1.050113533e+02 3.117947293e+02 nan 1.624284381e+02 2.133230474e+02 0.78 nan 4.606065278e+02 5.385254692e+02 nan nan 9.897285043e+01 2.927383465e+02 nan 1.521315812e+02 2.011824997e+02 0.80 nan 4.307583305e+02 5.068449461e+02 nan 5.188278063e+02 9.323988244e+01 2.747609316e+02 4.951949125e+02 1.424269511e+02 1.896720103e+02 0.82 4.898454204e+02 4.027079815e+02 4.769055793e+02 4.898424943e+02 4.898395683e+02 8.779825565e+01 2.578041841e+02 4.668866352e+02 1.332824828e+02 1.787607827e+02 0.84 4.623638804e+02 3.763519750e+02 4.486156624e+02 4.623608680e+02 4.623578556e+02 8.263438689e+01 2.418128517e+02 4.400820310e+02 1.246677683e+02 1.684194585e+02 0.86 4.363141626e+02 3.515925846e+02 4.218881803e+02 4.363110616e+02 4.363079606e+02 7.773527933e+01 2.267345750e+02 4.147049225e+02 1.165539745e+02 1.586200530e+02 0.88 4.116251434e+02 3.283375470e+02 3.966405746e+02 4.116219515e+02 4.116187596e+02 7.308849921e+01 2.125197404e+02 3.906828654e+02 1.089137652e+02 1.493358937e+02 0.90 3.882291156e+02 3.064997632e+02 3.727945197e+02 3.882258304e+02 3.882225452e+02 6.868215346e+01 1.991213395e+02 3.679469691e+02 1.017212266e+02 1.405415608e+02 0.92 3.660616278e+02 2.859970167e+02 3.502757108e+02 3.660582470e+02 3.660548661e+02 6.450486796e+01 1.864948364e+02 3.464317275e+02 9.495179658e+01 1.322128310e+02 0.94 3.450613324e+02 2.667517053e+02 3.290136618e+02 3.450578534e+02 3.450543745e+02 6.054576675e+01 1.745980406e+02 3.260748561e+02 8.858219712e+01 1.243266232e+02 0.96 3.251698390e+02 2.486905882e+02 3.089415135e+02 3.251662595e+02 3.251626799e+02 5.679445188e+01 1.633909873e+02 3.068171379e+02 8.259036999e+01 1.168609471e+02 0.98 3.063315762e+02 2.317445473e+02 2.899958509e+02 3.063278934e+02 3.063242107e+02 5.324098407e+01 1.528358231e+02 2.886022762e+02 7.695541557e+01 1.097948531e+02 1.00 2.884936583e+02 2.158483599e+02 2.721165301e+02 2.884898699e+02 2.884860814e+02 4.987586400e+01 1.428966972e+02 2.713767542e+02 7.165753457e+01 1.031083857e+02 1.02 2.716057596e+02 2.009404851e+02 2.552465133e+02 2.716018629e+02 2.715979661e+02 4.669001438e+01 1.335396587e+02 2.550897014e+02 6.667797254e+01 9.678253788e+01 1.04 2.556199934e+02 1.869628607e+02 2.393317122e+02 2.556159857e+02 2.556119779e+02 4.367476263e+01 1.247325586e+02 2.396927663e+02 6.199896706e+01 9.079920775e+01 1.06 2.404907969e+02 1.738607119e+02 2.243208391e+02 2.404866755e+02 2.404825540e+02 4.082182416e+01 1.164449569e+02 2.251399949e+02 5.760369745e+01 8.514115733e+01 1.08 2.261748217e+02 1.615823697e+02 2.101652655e+02 2.261705838e+02 2.261663459e+02 3.812328643e+01 1.086480341e+02 2.113877153e+02 5.347623699e+01 7.979197294e+01 1.10 2.126308291e+02 1.500790996e+02 1.968188875e+02 2.126264719e+02 2.126221148e+02 3.557159343e+01 1.013145078e+02 1.983944273e+02 4.960150742e+01 7.473602738e+01 1.12 1.998195901e+02 1.393049392e+02 1.842379977e+02 1.998151109e+02 1.998106317e+02 3.315953086e+01 9.441855262e+01 1.861206978e+02 4.596523560e+01 6.995844378e+01 1.14 1.877037907e+02 1.292165446e+02 1.723811645e+02 1.876991866e+02 1.876945825e+02 3.088021187e+01 8.793572491e+01 1.745290604e+02 4.255391240e+01 6.544506105e+01 1.16 1.762479408e+02 1.197730457e+02 1.612091159e+02 1.762432089e+02 1.762384769e+02 2.872706328e+01 8.184289093e+01 1.635839204e+02 3.935475354e+01 6.118240084e+01 1.18 1.654182875e+02 1.109359089e+02 1.506846302e+02 1.654134249e+02 1.654085622e+02 2.669381240e+01 7.611815873e+01 1.532514641e+02 3.635566231e+01 5.715763603e+01 1.20 1.551827331e+02 1.026688069e+02 1.407724319e+02 1.551777367e+02 1.551727404e+02 2.477447435e+01 7.074081347e+01 1.434995722e+02 3.354519423e+01 5.335856050e+01 1.22 1.455107559e+02 9.493749642e+01 1.314390923e+02 1.455056228e+02 1.455004898e+02 2.296333980e+01 6.569125601e+01 1.342977376e+02 3.091252338e+01 4.977356040e+01 1.24 1.363733354e+02 8.770970217e+01 1.226529358e+02 1.363680626e+02 1.363627898e+02 2.125496333e+01 6.095094471e+01 1.256169868e+02 2.844741041e+01 4.639158656e+01 1.26 1.277428806e+02 8.095500684e+01 1.143839501e+02 1.277374650e+02 1.277320494e+02 1.964415210e+01 5.650234009e+01 1.174298055e+02 2.614017215e+01 4.320212824e+01 1.28 1.195931620e+02 7.464474760e+01 1.066037018e+02 1.195876006e+02 1.195820391e+02 1.812595508e+01 5.232885233e+01 1.097100671e+02 2.398165272e+01 4.019518799e+01 1.30 1.118992464e+02 6.875191799e+01 9.928525531e+01 1.118935360e+02 1.118878256e+02 1.669565263e+01 4.841479155e+01 1.024329653e+02 2.196319608e+01 3.736125767e+01 1.32 1.046374350e+02 6.325107520e+01 9.240309630e+01 1.046315725e+02 1.046257100e+02 1.534874656e+01 4.474532047e+01 9.557494910e+01 2.007661998e+01 3.469129553e+01 1.34 9.778520394e+01 5.811825241e+01 8.593305901e+01 9.777918622e+01 9.777316850e+01 1.408095055e+01 4.130640963e+01 8.911366184e+01 1.831419118e+01 3.217670436e+01 1.36 9.132114854e+01 5.333087603e+01 7.985225701e+01 9.131497247e+01 9.130879640e+01 1.288818097e+01 3.808479484e+01 8.302788239e+01 1.666860191e+01 2.980931055e+01 1.38 8.522492911e+01 4.886768733e+01 7.413901754e+01 8.521859154e+01 8.521225397e+01 1.176654810e+01 3.506793680e+01 7.729746951e+01 1.513294756e+01 2.758134422e+01 1.40 7.947721993e+01 4.470866848e+01 6.877281910e+01 7.947071771e+01 7.946421548e+01 1.071234762e+01 3.224398286e+01 7.190330878e+01 1.370070546e+01 2.548542009e+01 1.42 7.405966043e+01 4.083497259e+01 6.373423226e+01 7.405299040e+01 7.404632038e+01 9.722052589e+00 2.960173067e+01 6.682726204e+01 1.236571472e+01 2.351451938e+01 1.44 6.895480866e+01 3.722885763e+01 5.900486332e+01 6.894796768e+01 6.894112671e+01 8.792305623e+00 2.713059376e+01 6.205211938e+01 1.112215718e+01 2.166197241e+01 1.46 6.414609695e+01 3.387362397e+01 5.456730092e+01 6.413908190e+01 6.413206685e+01 7.919911491e+00 2.482056886e+01 5.756155327e+01 9.964539161e+00 1.992144206e+01 1.48 5.961778970e+01 3.075355536e+01 5.040506527e+01 5.961059746e+01 5.960340522e+01 7.101829975e+00 2.266220493e+01 5.334007501e+01 8.887674350e+00 1.828690797e+01 1.50 5.535494308e+01 2.785386321e+01 4.650256000e+01 5.534757056e+01 5.534019804e+01 6.335169048e+00 2.064657378e+01 4.937299319e+01 7.886667390e+00 1.675265145e+01 1.52 5.134336668e+01 2.516063382e+01 4.284502637e+01 5.133581083e+01 5.132825498e+01 5.617178337e+00 1.876524219e+01 4.564637426e+01 6.956898402e+00 1.531324108e+01 1.54 4.756958695e+01 2.266077872e+01 3.941849984e+01 4.756184475e+01 4.755410255e+01 4.945242876e+00 1.701024554e+01 4.214700485e+01 6.094008271e+00 1.396351898e+01 1.56 4.402081238e+01 2.034198757e+01 3.620976886e+01 4.401288085e+01 4.400494932e+01 4.316877114e+00 1.537406274e+01 3.886235604e+01 5.293884691e+00 1.269858774e+01 1.58 4.068490027e+01 1.819268378e+01 3.320633567e+01 4.067677650e+01 4.066865273e+01 3.729719206e+00 1.384959247e+01 3.578054929e+01 4.552648935e+00 1.151379789e+01 1.60 3.755032516e+01 1.620198259e+01 3.039637917e+01 3.754200629e+01 3.753368742e+01 3.181525534e+00 1.243013072e+01 3.289032402e+01 3.866643303e+00 1.040473597e+01 1.62 3.460614867e+01 1.435965140e+01 2.776871961e+01 3.459763192e+01 3.458911518e+01 2.670165492e+00 1.110934940e+01 3.018100678e+01 3.232419220e+00 9.367213199e+00 1.64 3.184199084e+01 1.265607238e+01 2.531278511e+01 3.183327352e+01 3.182455619e+01 2.193616496e+00 9.881276195e+00 2.764248186e+01 2.646725956e+00 8.397254599e+00 1.66 2.924800276e+01 1.108220718e+01 2.301857988e+01 2.923908225e+01 2.923016175e+01 1.749959231e+00 8.740275308e+00 2.526516342e+01 2.106499928e+00 7.491088665e+00 1.68 2.681484055e+01 9.629563491e+00 2.087665403e+01 2.680571436e+01 2.679658818e+01 1.337373114e+00 7.681029365e+00 2.303996889e+01 1.608854568e+00 6.645137497e+00 1.70 2.453364056e+01 8.290163597e+00 1.887807495e+01 2.452430631e+01 2.451497206e+01 9.541319807e-01 6.698522179e+00 2.095829368e+01 1.151070710e+00 5.856007402e+00 1.72 2.239599574e+01 7.056514625e+00 1.701440014e+01 2.238645119e+01 2.237690663e+01 5.985999764e-01 5.788022438e+00 1.901198714e+01 7.305874878e-01 5.120479926e+00 1.74 2.039393318e+01 5.921580468e+00 1.527765141e+01 2.038417621e+01 2.037441924e+01 2.692276582e-01 4.945068258e+00 1.719332970e+01 3.449937145e-01 4.435503307e+00 1.76 1.851989264e+01 4.878755283e+00 1.366029044e+01 1.850992131e+01 1.849994998e+01 -3.545170525e-02 4.165452539e+00 1.549501107e+01 -7.980292205e-03 3.798184327e+00 1.78 1.676670620e+01 3.921838480e+00 1.215519553e+01 1.675651874e+01 1.674633129e+01 -3.168256349e-01 3.445209097e+00 1.391010958e+01 -3.304704450e-01 3.205780549e+00 1.80 1.512757879e+01 3.045011108e+00 1.075563960e+01 1.511717363e+01 1.510676847e+01 -5.762057489e-01 2.780599521e+00 1.243207245e+01 -6.244862148e-01 2.655692909e+00 1.82 1.359606975e+01 2.242813584e+00 9.455269272e+00 1.358544552e+01 1.357482130e+01 -8.148308792e-01 2.168100731e+00 1.105469710e+01 -8.919175657e-01 2.145458669e+00 1.84 1.216607517e+01 1.510124661e+00 8.248085077e+00 1.215523075e+01 1.214438633e+01 -1.033869045e+00 1.604393189e+00 9.772113347e+00 -1.134541385e+00 1.672744692e+00 1.86 1.083181119e+01 8.421415939e-01 7.128422625e+00 1.082074569e+01 1.080968018e+01 -1.234385073e+00 1.086349733e+00 8.578766447e+00 -1.354027854e+00 1.235341034e+00 1.88 9.587797982e+00 2.343614246e-01 6.090934779e+00 9.576510784e+00 9.565223587e+00 -1.417395901e+00 6.110250077e-01 7.469401011e+00 -1.551946909e+00 8.311548468e-01 1.90 8.428844604e+00 -3.174366769e-01 5.130574737e+00 8.417335399e+00 8.405826193e+00 -1.584043809e+00 1.756454516e-01 6.439045696e+00 -1.729771670e+00 4.582045610e-01 1.92 7.350034533e+00 -8.172080666e-01 4.242579989e+00 7.338303324e+00 7.326572115e+00 -1.735134629e+00 -2.224001816e-01 5.482998653e+00 -1.888888270e+00 1.146143481e-01 1.94 6.346711905e+00 -1.268658334e+00 3.422457102e+00 6.334759041e+00 6.322806178e+00 -1.871525239e+00 -5.855697979e-01 4.596813695e+00 -2.030594931e+00 -2.013911537e-01 1.96 5.414468420e+00 -1.675258121e+00 2.665967291e+00 5.402294624e+00 5.390120829e+00 -1.994016297e+00 -9.161764591e-01 3.776287143e+00 -2.156109855e+00 -4.914918643e-01 1.98 4.549130886e+00 -2.040257092e+00 1.969112740e+00 4.536737283e+00 4.524343681e+00 -2.103353864e+00 -1.216396424e+00 3.017445325e+00 -2.266564281e+00 -7.572770463e-01 2.00 3.746749361e+00 -2.366697105e+00 1.328123629e+00 3.734137509e+00 3.721525656e+00 -2.200230852e+00 -1.488276764e+00 2.316532701e+00 -2.363016412e+00 -1.000249861e+00 2.02 3.003585873e+00 -2.657424638e+00 7.394458413e-01 2.990757793e+00 2.977929713e+00 -2.285288307e+00 -1.733742563e+00 1.670000570e+00 -2.446532594e+00 -1.221831708e+00 2.04 2.316103683e+00 -2.915102493e+00 1.997293006e-01 2.303061899e+00 2.290020114e+00 -2.359116549e+00 -1.954603742e+00 1.074496341e+00 -2.518015577e+00 -1.423366241e+00 2.06 1.680957079e+00 -3.142220838e+00 -2.941830757e-01 1.667704650e+00 1.654452221e+00 -2.422256180e+00 -2.152561506e+00 5.268533380e-01 -2.578342840e+00 -1.606122210e+00 2.08 1.094981661e+00 -3.341107605e+00 -7.452658519e-01 1.081522223e+00 1.068062784e+00 -2.475199035e+00 -2.329214452e+00 2.408111540e-02 -2.628336081e+00 -1.771300172e+00 2.10 5.551850987e-01 -3.513938299e+00 -1.156321001e+00 5.415229043e-01 5.278607100e-01 -2.518389101e+00 -2.486064343e+00 -4.366437470e-01 -2.668762946e+00 -1.920037480e+00 2.12 5.873834992e-02 -3.662745235e+00 -1.529987312e+00 4.487831297e-02 3.101827601e-02 -2.552223531e+00 -2.624521574e+00 -8.579863845e-01 -2.700339963e+00 -2.053402177e+00 2.14 -3.970327016e-01 -3.789426241e+00 -1.868749306e+00 -4.110849605e-01 -4.251372193e-01 -2.577053858e+00 -2.745910341e+00 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