# 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 = Pt3Ti # 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 4.776840495e+02 nan nan 1.16 4.441336616e+02 nan nan 1.18 4.129810074e+02 nan nan 1.20 3.840175667e+02 nan nan 1.22 3.570693956e+02 nan nan 1.24 3.319863251e+02 nan nan 1.26 3.086316510e+02 nan nan 1.28 2.868691772e+02 4.227838630e+02 4.765192484e+02 1.30 2.665633524e+02 3.954781212e+02 4.465130027e+02 1.32 2.475947458e+02 3.699234926e+02 4.184069482e+02 1.34 2.298697384e+02 3.459955040e+02 3.920472696e+02 1.36 2.133112550e+02 3.235741480e+02 3.673154566e+02 1.38 1.978434116e+02 3.025446513e+02 3.441180254e+02 1.40 1.833876253e+02 2.828062808e+02 3.223683262e+02 1.42 1.698684808e+02 2.642799856e+02 3.019771972e+02 1.44 1.572172250e+02 2.469036878e+02 2.828524709e+02 1.46 1.453689474e+02 2.306179419e+02 2.649010134e+02 1.48 1.342586402e+02 2.153559189e+02 2.480323054e+02 1.50 1.238210607e+02 2.010441716e+02 2.321626655e+02 1.52 1.139943119e+02 1.876080792e+02 2.172179625e+02 1.54 1.047245327e+02 1.749753763e+02 2.031341244e+02 1.56 9.596967527e+01 1.630776671e+02 1.898554863e+02 1.58 8.770056945e+01 1.518522843e+02 1.773320556e+02 1.60 7.989772880e+01 1.412448509e+02 1.655180488e+02 1.62 7.254478124e+01 1.312108291e+02 1.543721569e+02 1.64 6.562225319e+01 1.217144923e+02 1.438569388e+02 1.66 5.910520764e+01 1.127259370e+02 1.339359748e+02 1.68 5.299597077e+01 1.042186071e+02 1.245711471e+02 1.70 4.741403791e+01 9.616873745e+01 1.157226288e+02 1.72 4.233225381e+01 8.855536682e+01 1.073510542e+02 1.74 3.770787768e+01 8.135886656e+01 9.941969553e+01 1.76 3.350399939e+01 7.455811829e+01 9.189555931e+01 1.78 2.968671181e+01 6.812849643e+01 8.474988496e+01 1.80 2.622313839e+01 6.204229023e+01 7.795878776e+01 1.82 2.308079353e+01 5.627247385e+01 7.150390300e+01 1.84 2.022810858e+01 5.086820543e+01 6.537204216e+01 1.86 1.763555787e+01 4.589196584e+01 5.955319039e+01 1.88 1.527666155e+01 4.131282037e+01 5.404821269e+01 1.90 1.312839880e+01 3.710359587e+01 4.896198700e+01 1.92 1.117102523e+01 3.324079549e+01 4.429422630e+01 1.94 9.387571667e+00 2.970228415e+01 4.000830217e+01 1.96 7.763311964e+00 2.646573818e+01 3.607026206e+01 1.98 6.285346697e+00 2.350811071e+01 3.244959983e+01 2.00 4.942309147e+00 2.080600182e+01 2.911910763e+01 2.02 3.724125703e+00 1.833653896e+01 2.605430557e+01 2.04 2.621764726e+00 1.607828358e+01 2.323291737e+01 2.06 1.626951743e+00 1.401182711e+01 2.063462315e+01 2.08 7.318822485e-01 1.211998399e+01 1.824106971e+01 2.10 -7.100375866e-02 1.038765795e+01 1.603597931e+01 2.12 -7.891269646e-01 8.801519072e+00 1.400518222e+01 2.14 -1.429744456e+00 7.349634517e+00 1.213646669e+01 2.16 -1.999844997e+00 6.021168565e+00 1.041921857e+01 2.18 -2.506032873e+00 4.806208120e+00 8.843901883e+00 2.20 -2.954440690e+00 3.695697689e+00 7.401506111e+00 2.22 -3.350672655e+00 2.681424382e+00 6.083120927e+00 2.24 -3.699768487e+00 1.755996782e+00 4.879761806e+00 2.26 -4.006188828e+00 9.127907873e-01 3.782453359e+00 2.28 -4.273830067e+00 1.458649402e-01 2.782470396e+00 2.30 -4.506069828e+00 -5.501383378e-01 1.871599351e+00 2.32 -4.705834899e+00 -1.180088541e+00 1.042322070e+00 2.34 -4.875679453e+00 -1.748451616e+00 2.878904523e-01 2.36 -5.017864101e+00 -2.259360475e+00 -3.976941321e-01 2.38 -5.134429287e+00 -2.716674314e+00 -1.019766458e+00 2.40 -5.227257752e+00 -3.124030602e+00 -1.583118965e+00 2.42 -5.299333494e+00 -3.484892919e+00 -2.092132501e+00 2.44 -5.355644684e+00 -3.802595151e+00 -2.550890849e+00 2.46 -5.396909825e+00 -4.080381866e+00 -2.963256085e+00 2.48 -5.423609011e+00 -4.321444757e+00 -3.332893304e+00 2.50 -5.436297011e+00 -4.528953672e+00 -3.663251777e+00 2.52 -5.435617458e+00 -4.706074090e+00 -3.957524672e+00 2.54 -5.422340045e+00 -4.855955789e+00 -4.218613357e+00 2.56 -5.397432608e+00 -4.981679531e+00 -4.449112027e+00 2.58 -5.362052070e+00 -5.086164388e+00 -4.651315362e+00 2.60 -5.317478606e+00 -5.172059771e+00 -4.827242373e+00 2.62 -5.265127710e+00 -5.242043284e+00 -4.978667792e+00 2.64 -5.206450757e+00 -5.300067962e+00 -5.107156323e+00 2.66 -5.142820997e+00 -5.348648841e+00 -5.214100094e+00 2.68 -5.075437532e+00 -5.387997193e+00 -5.300763790e+00 2.70 -5.005269167e+00 -5.418244509e+00 -5.368416950e+00 2.72 -4.933037789e+00 -5.439499384e+00 -5.420962532e+00 2.74 -4.859176680e+00 -5.451869694e+00 -5.460343825e+00 2.76 -4.783910370e+00 -5.455484816e+00 -5.487104012e+00 2.78 -4.707364579e+00 -5.450516380e+00 -5.502024583e+00 2.80 -4.629607481e+00 -5.437096038e+00 -5.506108686e+00 2.82 -4.550680658e+00 -5.415379848e+00 -5.500528279e+00 2.84 -4.470621267e+00 -5.385563252e+00 -5.486541280e+00 2.86 -4.389475940e+00 -5.347893278e+00 -5.465434966e+00 2.88 -4.307307663e+00 -5.302686922e+00 -5.438317305e+00 2.90 -4.224196824e+00 -5.250353187e+00 -5.406096775e+00 2.92 -4.140237868e+00 -5.191413915e+00 -5.369490107e+00 2.94 -4.055533531e+00 -5.126516642e+00 -5.329024681e+00 2.96 -3.970187305e+00 -5.056429580e+00 -5.285065293e+00 2.98 -3.884297283e+00 -4.981985022e+00 -5.237853285e+00 3.00 -3.797951423e+00 -4.904053435e+00 -5.187546095e+00 3.02 -3.711225377e+00 -4.823515487e+00 -5.134251744e+00 3.04 -3.624182895e+00 -4.741198524e+00 -5.078028811e+00 3.06 -3.536878484e+00 -4.657820931e+00 -5.018894694e+00 3.08 -3.449361801e+00 -4.573954599e+00 -4.956881841e+00 3.10 -3.361683144e+00 -4.490011308e+00 -4.892042453e+00 3.12 -3.273899279e+00 -4.406250726e+00 -4.824445750e+00 3.14 -3.186078786e+00 -4.322804604e+00 -4.754174103e+00 3.16 -3.098306049e+00 -4.239708370e+00 -4.681319095e+00 3.18 -3.010683066e+00 -4.156934013e+00 -4.605978339e+00 3.20 -2.923328518e+00 -4.074418512e+00 -4.528253684e+00 3.22 -2.836373971e+00 -3.992085899e+00 -4.448251371e+00 3.24 -2.749957709e+00 -3.909862702e+00 -4.366084255e+00 3.26 -2.664217376e+00 -3.827687750e+00 -4.281876452e+00 3.28 -2.579312285e+00 -3.745517725e+00 -4.195769899e+00 3.30 -2.495505118e+00 -3.663329749e+00 -4.107932195e+00 3.32 -2.413044111e+00 -3.581121990e+00 -4.018564469e+00 3.34 -2.332128215e+00 -3.498912917e+00 -3.927907666e+00 3.36 -2.252912459e+00 -3.416739657e+00 -3.836245557e+00 3.38 -2.175513598e+00 -3.334655713e+00 -3.743903055e+00 3.40 -2.100015448e+00 -3.252728302e+00 -3.651239107e+00 3.42 -2.026473564e+00 -3.171035605e+00 -3.558634278e+00 3.44 -1.954919725e+00 -3.089663951e+00 -3.466474070e+00 3.46 -1.885365298e+00 -3.008705330e+00 -3.375129809e+00 3.48 -1.817805017e+00 -2.928255069e+00 -3.284939495e+00 3.50 -1.752219928e+00 -2.848409672e+00 -3.196191154e+00 3.52 -1.688579904e+00 -2.769264617e+00 -3.109111355e+00 3.54 -1.626845510e+00 -2.690911919e+00 -3.023859120e+00 3.56 -1.566969342e+00 -2.613452605e+00 -2.940526964e+00 3.58 -1.508896878e+00 -2.537059830e+00 -2.859146815e+00 3.60 -1.452567057e+00 -2.461915749e+00 -2.779699594e+00 3.62 -1.397912770e+00 -2.388166022e+00 -2.702126395e+00 3.64 -1.344861446e+00 -2.315920103e+00 -2.626343265e+00 3.66 -1.293335898e+00 -2.245252979e+00 -2.552319925e+00 3.68 -1.243255537e+00 -2.176207904e+00 -2.480065494e+00 3.70 -1.194538076e+00 -2.108800023e+00 -2.409559243e+00 3.72 -1.147101761e+00 -2.043020595e+00 -2.340758071e+00 3.74 -1.100868153e+00 -1.978841507e+00 -2.273604838e+00 3.76 -1.055765412e+00 -1.916219762e+00 -2.208034868e+00 3.78 -1.011731956e+00 -1.855101730e+00 -2.143981072e+00 3.80 -9.687202462e-01 -1.795426976e+00 -2.081378002e+00 3.82 -9.267003519e-01 -1.737131572e+00 -2.020165007e+00 3.84 -8.856628130e-01 -1.680150824e+00 -1.960288570e+00 3.86 -8.456202385e-01 -1.624421411e+00 -1.901703844e+00 3.88 -8.066070804e-01 -1.569882953e+00 -1.844375429e+00 3.90 -7.686771343e-01 -1.516479108e+00 -1.788277425e+00 3.92 -7.318985566e-01 -1.464158291e+00 -1.733392835e+00 3.94 -6.963467182e-01 -1.412874323e+00 -1.679712671e+00 3.96 -6.620952473e-01 -1.362586821e+00 -1.627234371e+00 3.98 -6.292067374e-01 -1.313261986e+00 -1.575960453e+00 4.00 -5.977240832e-01 -1.264873515e+00 -1.525896939e+00 4.02 -5.676638226e-01 -1.217403842e+00 -1.477051899e+00 4.04 -5.390123884e-01 -1.170845645e+00 -1.429434106e+00 4.06 -5.117256804e-01 -1.125203463e+00 -1.383051802e+00 4.08 -4.857318113e-01 -1.080495180e+00 -1.337911554e+00 4.10 -4.609364208e-01 -1.036752984e+00 -1.294017167e+00 4.12 -4.372296961e-01 -9.940237818e-01 -1.251368662e+00 4.14 -4.144941886e-01 -9.523678152e-01 -1.209961338e+00 4.16 -3.926126350e-01 -9.118564820e-01 -1.169784994e+00 4.18 -3.714751872e-01 -8.725683346e-01 -1.130823382e+00 4.20 -3.509856449e-01 -8.345838546e-01 -1.093053948e+00 4.22 -3.310664558e-01 -7.979793789e-01 -1.056447896e+00 4.24 -3.116622678e-01 -7.628208321e-01 -1.020970540e+00 4.26 -2.927419613e-01 -7.291580102e-01 -9.865818906e-01 4.28 -2.742990048e-01 -6.970201050e-01 -9.532373866e-01 4.30 -2.563500884e-01 -6.664129689e-01 -9.208886814e-01 4.32 -2.389320587e-01 -6.373183324e-01 -8.894844125e-01 4.34 -2.220973263e-01 -6.096948880e-01 -8.589709005e-01 4.36 -2.059080820e-01 -5.834809051e-01 -8.292927502e-01 4.38 -1.904299256e-01 -5.585978869e-01 -8.003933503e-01 4.40 -1.757253314e-01 -5.349547435e-01 -7.722152808e-01 4.42 -1.618479033e-01 -5.124520076e-01 -7.447006534e-01 4.44 -1.488377587e-01 -4.909857360e-01 -7.177914148e-01 4.46 -1.367185164e-01 -4.704508746e-01 -6.914296527e-01 4.48 -1.254960116e-01 -4.507439964e-01 -6.655579439e-01 4.50 -1.151586402e-01 -4.317654238e-01 -6.401197889e-01 4.52 -1.056790125e-01 -4.134208179e-01 -6.150601257e-01 4.54 -9.701669762e-02 -3.956223521e-01 -5.903262762e-01 4.56 -8.912117107e-02 -3.782896042e-01 -5.658685514e-01 4.58 -8.193521446e-02 -3.613502851e-01 -5.416416526e-01 4.60 -7.539797485e-02 -3.447409064e-01 -5.176060090e-01 4.62 -6.944768599e-02 -3.284074556e-01 -4.937293939e-01 4.64 -6.402390864e-02 -3.123061089e-01 -4.699887101e-01 4.66 -5.906925822e-02 -2.964039789e-01 -4.463718602e-01 4.68 -5.453064154e-02 -2.806798470e-01 -4.228795772e-01 4.70 -5.036005057e-02 -2.651248004e-01 -3.995270505e-01 4.72 -4.651498291e-02 -2.497426591e-01 -3.763451490e-01 4.74 -4.295855145e-02 -2.345500602e-01 -3.533810253e-01 4.76 -3.965919383e-02 -2.195760662e-01 -3.306978915e-01 4.78 -3.659048360e-02 -2.048611848e-01 -3.083737998e-01 4.80 -3.373104147e-02 -1.904556890e-01 -2.864993355e-01 4.82 -3.106338933e-02 -1.764174975e-01 -2.651742434e-01 4.84 -2.857333888e-02 -1.628090327e-01 -2.445031383e-01 4.86 -2.624934391e-02 -1.496941372e-01 -2.245905834e-01 4.88 -2.408184749e-02 -1.371345799e-01 -2.055359261e-01 4.90 -2.206267124e-02 -1.251867242e-01 -1.874283398e-01 4.92 -2.018448442e-02 -1.138985886e-01 -1.703425110e-01 4.94 -1.844037986e-02 -1.033075372e-01 -1.543353415e-01 4.96 -1.682357085e-02 -9.343876586e-02 -1.394439067e-01 4.98 -1.532721024e-02 -8.430464878e-02 -1.256847575e-01 5.00 -1.394432128e-02 -7.590491580e-02 -1.130545001e-01 5.02 -1.266782066e-02 -6.822754628e-02 -1.015314586e-01 5.04 -1.149060830e-02 -6.125021024e-02 -9.107814499e-02 5.06 -1.040569654e-02 -5.494206247e-02 -8.164422428e-02 5.08 -9.406352262e-03 -4.926569920e-02 -7.316967671e-02 5.10 -8.486227784e-03 -4.417911230e-02 -6.558790072e-02 5.12 -7.639458352e-03 -3.963751328e-02 -5.882856418e-02 5.14 -6.860751732e-03 -3.559494129e-02 -5.282007815e-02 5.16 -6.145393050e-03 -3.200560776e-02 -4.749163006e-02 5.18 -5.489217144e-03 -2.882496326e-02 -4.277476340e-02 5.20 -4.888548099e-03 -2.601049138e-02 -3.860452857e-02 5.22 -4.340111644e-03 -2.352226412e-02 -3.492025274e-02 5.24 -3.841718091e-03 -2.132329872e-02 -3.166598813e-02 5.26 -3.391458275e-03 -1.937965156e-02 -2.879070033e-02 5.28 -2.985631154e-03 -1.766036534e-02 -2.624826151e-02 5.30 -2.620907049e-03 -1.613833104e-02 -2.399729723e-02 5.32 -2.294241522e-03 -1.478927475e-02 -2.200081378e-02 5.34 -2.002770521e-03 -1.359068430e-02 -2.022598769e-02 5.36 -1.743743806e-03 -1.252283926e-02 -1.864417666e-02 5.38 -1.514490498e-03 -1.156850053e-02 -1.723012314e-02 5.40 -1.312409318e-03 -1.071260814e-02 -1.596163281e-02 5.42 -1.134975697e-03 -9.942017274e-03 -1.481926781e-02 5.44 -9.797585455e-04 -9.245266353e-03 -1.378604980e-02 5.46 -8.444406716e-04 -8.612373132e-03 -1.284718222e-02 5.48 -7.268384236e-04 -8.034655768e-03 -1.198979651e-02 5.50 -6.249176737e-04 -7.504576524e-03 -1.120272499e-02 5.52 -5.368046858e-04 -7.015606140e-03 -1.047630072e-02 5.54 -4.607914717e-04 -6.562106595e-03 -9.802161577e-03 5.56 -3.953359926e-04 -6.139229986e-03 -9.173190321e-03 5.58 -3.390579965e-04 -5.742837820e-03 -8.583247043e-03 5.60 -2.907314706e-04 -5.369426914e-03 -8.027164448e-03 5.62 -2.492747060e-04 -5.016067887e-03 -7.500626701e-03 5.64 -2.137388836e-04 -4.680352583e-03 -7.000091041e-03 5.66 -1.832959440e-04 -4.360347548e-03 -6.522718592e-03 5.68 -1.572263376e-04 -4.054551078e-03 -6.066310604e-03 5.70 -1.349071002e-04 -3.761851476e-03 -5.629246523e-03 5.72 -1.158005571e-04 -3.481484414e-03 -5.210420721e-03 5.74 -9.944384593e-05 -3.212987777e-03 -4.809175429e-03 5.76 -8.543935793e-05 -2.956153055e-03 -4.425228460e-03 5.78 -7.344613414e-05 -2.711341715e-03 -4.058999496e-03 5.80 -6.317220409e-05 -2.478934050e-03 -3.711291871e-03 5.82 -5.436782238e-05 -2.258923271e-03 -3.382111257e-03 5.84 -4.681954203e-05 -2.051371912e-03 -3.071547586e-03 5.86 -4.034505171e-05 -1.856365588e-03 -2.779728504e-03 5.88 -3.478869982e-05 -1.673971292e-03 -2.506756001e-03 5.90 -3.001762983e-05 -1.504202420e-03 -2.252653304e-03 5.92 -2.591845449e-05 -1.346992034e-03 -2.017324245e-03 5.94 -2.239440147e-05 -1.202175247e-03 -1.800526425e-03 5.96 -1.936286861e-05 -1.069480886e-03 -1.601858372e-03 5.98 -1.675333396e-05 -9.485318267e-04 -1.420759776e-03 6.00 -1.450557161e-05 -8.388527313e-04 -1.256522909e-03