# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--LAMMPS--ipr1 # composition = Co # 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 2025-07-01 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 nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan 6.553815471e+02 nan nan nan nan 0.80 nan nan nan nan nan 5.980077694e+02 nan nan nan nan 0.82 nan nan nan nan nan 5.464486139e+02 nan nan 6.794012117e+02 nan 0.84 nan nan nan nan nan 5.000125395e+02 nan nan 6.160394284e+02 nan 0.86 nan nan nan nan nan 4.581030514e+02 nan nan 5.594519863e+02 nan 0.88 nan nan nan nan nan 4.202044465e+02 nan nan 5.084762000e+02 nan 0.90 nan 8.162836264e+02 nan nan nan 3.858696663e+02 nan nan 4.612705473e+02 6.912096857e+02 0.92 nan 7.436977635e+02 nan nan nan 3.547100240e+02 7.012899788e+02 nan 4.178581236e+02 6.300133664e+02 0.94 nan 6.764590881e+02 nan nan nan 3.263865389e+02 6.373656529e+02 nan 3.782501964e+02 5.750630152e+02 0.96 nan 6.145801889e+02 nan nan nan 3.006026627e+02 5.795070770e+02 nan 3.423247148e+02 5.256943798e+02 0.98 nan 5.557837075e+02 8.205872912e+02 nan nan 2.770981690e+02 5.272827628e+02 nan 3.098784151e+02 4.812977471e+02 1.00 nan 5.001025762e+02 7.517395620e+02 nan 8.152204437e+02 2.556440135e+02 4.802279201e+02 7.564011924e+02 2.806631804e+02 4.413210451e+02 1.02 7.546360473e+02 4.482602617e+02 6.882735740e+02 7.545838568e+02 7.545316662e+02 2.360380142e+02 4.376292403e+02 6.995617135e+02 2.544109799e+02 4.052693303e+02 1.04 6.990939907e+02 4.006099974e+02 6.300579955e+02 6.990436177e+02 6.989932447e+02 2.181012026e+02 3.984671847e+02 6.474847956e+02 2.308505812e+02 3.727020688e+02 1.06 6.482048084e+02 3.572469695e+02 5.768564642e+02 6.481562021e+02 6.481075958e+02 2.016739715e+02 3.626155920e+02 5.972230787e+02 2.097177958e+02 3.432280446e+02 1.08 6.004008646e+02 3.179521905e+02 5.276212983e+02 6.003539748e+02 6.003070851e+02 1.862398626e+02 3.295631209e+02 5.480279562e+02 1.904819639e+02 3.159405353e+02 1.10 5.520244443e+02 2.821271558e+02 4.798467895e+02 5.519792217e+02 5.519339992e+02 1.705850247e+02 2.980394343e+02 4.995879116e+02 1.720961598e+02 2.889056359e+02 1.12 5.041863009e+02 2.496962595e+02 4.341658159e+02 5.041426970e+02 5.040990932e+02 1.550842006e+02 2.683242231e+02 4.528715449e+02 1.547148856e+02 2.625896431e+02 1.14 4.579731053e+02 2.205400077e+02 3.911722298e+02 4.579310727e+02 4.578890400e+02 1.401033073e+02 2.406661026e+02 4.086103775e+02 1.384975116e+02 2.374608490e+02 1.16 4.140996673e+02 1.944742593e+02 3.512013114e+02 4.140591592e+02 4.140186510e+02 1.258836215e+02 2.151783021e+02 3.672436284e+02 1.235218600e+02 2.138137943e+02 1.18 3.730023914e+02 1.712775231e+02 3.144005736e+02 3.729633619e+02 3.729243325e+02 1.125730355e+02 1.918778818e+02 3.289959648e+02 1.098074176e+02 1.918142741e+02 1.20 3.349118936e+02 1.507104257e+02 2.807838627e+02 3.348742980e+02 3.348367025e+02 1.002503587e+02 1.707153822e+02 2.939372678e+02 9.733298530e+01 1.715340626e+02 1.22 2.999091472e+02 1.325293142e+02 2.502724247e+02 2.998729415e+02 2.998367359e+02 8.894411643e+01 1.515970729e+02 2.620283047e+02 8.604997174e+01 1.529775557e+02 1.24 2.679685962e+02 1.164954927e+02 2.227258008e+02 2.679337375e+02 2.678988787e+02 7.864699466e+01 1.344014743e+02 2.331553681e+02 7.589229534e+01 1.361021418e+02 1.26 2.389910926e+02 1.023812457e+02 1.979648842e+02 2.389575387e+02 2.389239848e+02 6.932688143e+01 1.189915014e+02 2.071563341e+02 6.678368594e+01 1.208336647e+02 1.28 2.128288299e+02 8.997351672e+01 1.757889069e+02 2.127965397e+02 2.127642496e+02 6.093523042e+01 1.052232475e+02 1.838400462e+02 5.864290381e+01 1.070780268e+02 1.30 1.893040278e+02 7.907589783e+01 1.559877635e+02 1.892729612e+02 1.892418946e+02 5.341333314e+01 9.295221249e+01 1.630005427e+02 5.138746441e+01 9.472979815e+01 1.32 1.682227745e+02 6.950942964e+01 1.383507834e+02 1.681928922e+02 1.681630099e+02 4.669696975e+01 8.203760352e+01 1.444273237e+02 4.493632862e+01 8.367851612e+01 1.34 1.493851051e+02 6.111257526e+01 1.226727967e+02 1.493563688e+02 1.493276325e+02 4.071979894e+01 7.234518401e+01 1.279125824e+02 3.921172433e+01 7.381320241e+01 1.36 1.325921946e+02 5.374064635e+01 1.087581692e+02 1.325645669e+02 1.325369392e+02 3.541578009e+01 6.374904688e+01 1.132561393e+02 3.414031091e+01 6.502552141e+01 1.38 1.176513409e+02 4.726487861e+01 9.642331917e+01 1.176247854e+02 1.175982299e+02 3.072085428e+01 5.613259590e+01 1.002686418e+02 2.965382893e+01 5.721190593e+01 1.40 1.043792745e+02 4.157130418e+01 8.549811855e+01 1.043537556e+02 1.043282368e+02 2.657406330e+01 4.938894620e+01 8.877347461e+01 2.568930539e+01 5.027490669e+01 1.42 9.260421333e+01 3.655952359e+01 7.582648439e+01 9.257969648e+01 9.255517963e+01 2.291824733e+01 4.342079512e+01 7.860773265e+01 2.218910724e+01 4.412396598e+01 1.44 8.216698345e+01 3.214145002e+01 6.726639332e+01 8.214343490e+01 8.211988635e+01 1.970042858e+01 3.814002123e+01 6.962251510e+01 1.910088503e+01 3.867576575e+01 1.46 7.292144523e+01 2.824007581e+01 5.968950032e+01 7.289883216e+01 7.287621909e+01 1.687196747e+01 3.346728512e+01 6.168272272e+01 1.637739008e+01 3.385418576e+01 1.48 6.473440202e+01 2.478829273e+01 5.298049321e+01 6.471269248e+01 6.469098295e+01 1.438855482e+01 2.933152633e+01 5.466649756e+01 1.397620746e+01 2.958990299e+01 1.50 5.748522202e+01 2.172778636e+01 4.703628245e+01 5.746438495e+01 5.744354787e+01 1.221008994e+01 2.566938419e+01 4.846450015e+01 1.185943741e+01 2.582008866e+01 1.52 5.106525716e+01 1.900801526e+01 4.176510289e+01 5.104526234e+01 5.102526751e+01 1.030048371e+01 2.242458393e+01 4.297907970e+01 9.993351601e+00 2.248810122e+01 1.54 4.537711549e+01 1.658527953e+01 3.708557640e+01 4.535793354e+01 4.533875160e+01 8.627413197e+00 1.954731445e+01 3.812337653e+01 8.348039718e+00 1.954310840e+01 1.56 4.033385379e+01 1.442187846e+01 3.292577574e+01 4.031545618e+01 4.029705858e+01 7.162049951e+00 1.699361860e+01 3.382040284e+01 6.897060213e+00 1.693967038e+01 1.58 3.585813739e+01 1.248535532e+01 2.922231613e+01 3.584049641e+01 3.582285543e+01 5.878777673e+00 1.472480973e+01 3.000213467e+01 5.617103523e+00 1.463730739e+01 1.60 3.188139611e+01 1.074782348e+01 2.591948874e+01 3.186448484e+01 3.184757356e+01 4.754908865e+00 1.270692099e+01 2.660863582e+01 4.487672443e+00 1.260006634e+01 1.62 2.834300382e+01 9.185369066e+00 2.296844998e+01 2.832679614e+01 2.831058845e+01 3.770409614e+00 1.091019414e+01 2.358722959e+01 3.490783879e+00 1.079609996e+01 1.64 2.518949531e+01 7.777523216e+00 2.032647078e+01 2.517396586e+01 2.515843641e+01 2.907636979e+00 9.308595481e+00 2.089172554e+01 2.610693284e+00 9.197265396e+00 1.66 2.237382868e+01 6.506797067e+00 1.795624739e+01 2.235895288e+01 2.234407708e+01 2.151091796e+00 7.879281945e+00 1.848170561e+01 1.833639243e+00 7.778746200e+00 1.68 1.985470195e+01 5.358222968e+00 1.582527539e+01 1.984045594e+01 1.982620994e+01 1.487189693e+00 6.602158671e+00 1.632187199e+01 1.147561430e+00 6.518702135e+00 1.70 1.759592358e+01 4.318836320e+00 1.390528352e+01 1.758228427e+01 1.756864495e+01 9.040502650e-01 5.459566983e+00 1.438145508e+01 5.418265004e-01 5.397946504e+00 1.72 1.556583787e+01 3.377351535e+00 1.217172443e+01 1.555278284e+01 1.553972781e+01 3.913046273e-01 4.436007887e+00 1.263367906e+01 7.059047822e-03 4.399651455e+00 1.74 1.373680488e+01 2.523947553e+00 1.060331976e+01 1.372431243e+01 1.371181999e+01 -6.007867022e-02 3.517893276e+00 1.105528274e+01 -4.649974228e-01 3.509081133e+00 1.76 1.208473066e+01 1.750080414e+00 9.181653580e+00 1.207277978e+01 1.206082890e+01 -4.579508956e-01 2.693322448e+00 9.626091128e+00 -8.816063288e-01 2.713350409e+00 1.78 1.058864600e+01 1.048318705e+00 7.890771766e+00 1.057721632e+01 1.056578665e+01 -8.091241034e-01 1.951882496e+00 8.328634343e+00 -1.249151115e+00 2.001208351e+00 1.80 9.230330181e+00 4.121992937e-01 6.716733680e+00 9.219402017e+00 9.208473854e+00 -1.119496991e+00 1.284470611e+00 7.147809437e+00 -1.573236543e+00 1.362844638e+00 1.82 7.993975280e+00 -1.639000662e-01 5.647316056e+00 7.983529559e+00 7.973083838e+00 -1.394167209e+00 6.831359611e-01 6.070581033e+00 -1.858779371e+00 7.897165889e-01 1.84 6.865888384e+00 -6.849185453e-01 4.671807255e+00 6.855906660e+00 6.845924937e+00 -1.637530920e+00 1.409396922e-01 5.085717292e+00 -2.110089043e+00 2.743955653e-01 1.86 5.834227811e+00 -1.155320275e+00 3.780825691e+00 5.824692245e+00 5.815156678e+00 -1.853370984e+00 -3.481689726e-01 4.183557362e+00 -2.330939448e+00 -1.895693056e-01 1.88 4.888769622e+00 -1.579178102e+00 2.966158754e+00 4.879662962e+00 4.870556302e+00 -2.044934996e+00 -7.894622967e-01 3.355806732e+00 -2.524632705e+00 -6.077719459e-01 1.90 4.020702008e+00 -1.960210798e+00 2.220620627e+00 4.012007579e+00 4.003313149e+00 -2.215003969e+00 -1.187530580e+00 2.595357699e+00 -2.694055578e+00 -9.850559000e-01 1.92 3.222443983e+00 -2.301816223e+00 1.537926554e+00 3.214145667e+00 3.205847351e+00 -2.365952890e+00 -1.546367808e+00 1.896131867e+00 -2.841729472e+00 -1.325608489e+00 1.94 2.487485840e+00 -2.607101170e+00 9.125819093e-01 2.479568066e+00 2.471650293e+00 -2.499803979e+00 -1.869462360e+00 1.252942142e+00 -2.969854647e+00 -1.633043817e+00 1.96 1.810249196e+00 -2.878908212e+00 3.397845404e-01 1.802696922e+00 1.795144648e+00 -2.618273384e+00 -2.159891797e+00 6.613719033e-01 -3.080349232e+00 -1.910475761e+00 1.98 1.185963881e+00 -3.119839900e+00 -1.846613996e-01 1.178762581e+00 1.171561282e+00 -2.722812241e+00 -2.420378561e+00 1.176635119e-01 -3.174883738e+00 -2.160582296e+00 2.00 6.105600032e-01 -3.332280582e+00 -6.644212984e-01 6.036956524e-01 5.968313015e-01 -2.814642647e+00 -2.653331593e+00 -3.814550802e-01 -3.254911509e+00 -2.385662049e+00 2.02 8.057330756e-02 -3.518416073e+00 -1.102696845e+00 7.403236777e-02 6.749142798e-02 -2.894789185e+00 -2.860883113e+00 -8.389328399e-01 -3.321695602e+00 -2.587683996e+00 2.04 -4.069448930e-01 -3.680252321e+00 -1.502289547e+00 -4.131754861e-01 -4.194060792e-01 -2.964108903e+00 -3.044923568e+00 -1.257445658e+00 -3.376334294e+00 -2.768334706e+00 2.06 -8.546055963e-01 -3.819644613e+00 -1.865722601e+00 -8.605384473e-01 -8.664712984e-01 -3.023350554e+00 -3.207165517e+00 -1.639461001e+00 -3.419808323e+00 -2.929109325e+00 2.08 -1.264858294e+00 -3.938326179e+00 -2.195361449e+00 -1.270505561e+00 -1.276152828e+00 -3.073213254e+00 -3.349206684e+00 -1.987301717e+00 -3.453027505e+00 -3.071401549e+00 2.10 -1.640018598e+00 -4.037917851e+00 -2.493435124e+00 -1.645392006e+00 -1.650765414e+00 -3.114355615e+00 -3.472543202e+00 -2.303160074e+00 -3.476840031e+00 -3.196519188e+00 2.12 -1.982275090e+00 -4.119934759e+00 -2.762043595e+00 -1.987385944e+00 -1.992496797e+00 -3.147397939e+00 -3.578575687e+00 -2.589104617e+00 -3.492036387e+00 -3.305689198e+00 2.14 -2.293695851e+00 -4.185792660e+00 -3.003164726e+00 -2.298555046e+00 -2.303414241e+00 -3.172925295e+00 -3.668614960e+00 -2.847086696e+00 -3.499353044e+00 -3.400062442e+00 2.16 -2.576234668e+00 -4.236813904e+00 -3.218660897e+00 -2.580852706e+00 -2.585470744e+00 -3.191497482e+00 -3.743887436e+00 -3.078946659e+00 -3.499475909e+00 -3.480718164e+00 2.18 -2.831736924e+00 -4.274233060e+00 -3.410285260e+00 -2.836123923e+00 -2.840510922e+00 -3.203610707e+00 -3.805540202e+00 -3.286419719e+00 -3.493043563e+00 -3.548668205e+00 2.20 -3.061945208e+00 -4.299202223e+00 -3.579687685e+00 -3.066110914e+00 -3.070276620e+00 -3.209759702e+00 -3.854645796e+00 -3.471141544e+00 -3.480650306e+00 -3.604860981e+00 2.22 -3.268504646e+00 -4.312796023e+00 -3.728420394e+00 -3.272458445e+00 -3.276412245e+00 -3.210404657e+00 -3.892206710e+00 -3.634653553e+00 -3.462848973e+00 -3.650185228e+00 2.24 -3.452967955e+00 -4.316016336e+00 -3.857943301e+00 -3.456718886e+00 -3.460469817e+00 -3.205976029e+00 -3.919159631e+00 -3.778407940e+00 -3.440153619e+00 -3.685473522e+00 2.26 -3.616800267e+00 -4.309796741e+00 -3.969629077e+00 -3.620357030e+00 -3.623913792e+00 -3.196878390e+00 -3.936379432e+00 -3.903772447e+00 -3.413042049e+00 -3.711505612e+00 2.28 -3.761383696e+00 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