# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Mo # implementation = 2017--Kim-J-S--Mo--LAMMPS--ipr1 # composition = Mo # 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 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 3.415428244e+02 nan nan nan nan 0.78 nan nan nan nan nan 3.226060555e+02 nan nan nan nan 0.80 nan nan nan nan nan 3.046281312e+02 nan nan 6.378012016e+02 nan 0.82 nan nan nan nan nan 2.875630905e+02 nan nan 6.125056712e+02 nan 0.84 nan nan nan nan nan 2.713670928e+02 nan nan 5.872492779e+02 nan 0.86 nan nan nan nan nan 2.559983222e+02 nan nan 5.621300410e+02 nan 0.88 nan 8.352641681e+02 nan nan nan 2.414168970e+02 5.969808024e+02 nan 5.372439385e+02 4.268864670e+02 0.90 nan 7.840312920e+02 nan nan nan 2.275847825e+02 5.618556272e+02 nan 5.126817463e+02 4.031587334e+02 0.92 nan 7.357281846e+02 nan nan nan 2.144657082e+02 5.286545851e+02 nan 4.885268643e+02 3.806433573e+02 0.94 nan 6.901945244e+02 nan nan nan 2.020250881e+02 4.972765830e+02 nan 4.648539520e+02 3.592814719e+02 0.96 nan 6.472784983e+02 8.311191349e+02 nan nan 1.902299451e+02 4.676256999e+02 nan 4.417282080e+02 3.390169732e+02 0.98 7.797034685e+02 6.068363606e+02 7.839926613e+02 7.796956747e+02 7.796878809e+02 1.790488383e+02 4.396109267e+02 7.380318519e+02 4.192051466e+02 3.197963939e+02 1.00 7.376220440e+02 5.687320135e+02 7.393572642e+02 7.376140914e+02 7.376061388e+02 1.684517938e+02 4.131459193e+02 6.972531916e+02 3.973307463e+02 3.015687820e+02 1.02 6.976475292e+02 5.328366106e+02 6.970868931e+02 6.976394152e+02 6.976313013e+02 1.584102382e+02 3.881487640e+02 6.585619207e+02 3.761418616e+02 2.842855858e+02 1.04 6.596794319e+02 4.990281787e+02 6.570616878e+02 6.596711539e+02 6.596628760e+02 1.488969354e+02 3.645417542e+02 6.218563025e+02 3.556668142e+02 2.679005431e+02 1.06 6.236218889e+02 4.671912608e+02 6.191676806e+02 6.236134443e+02 6.236049997e+02 1.398859262e+02 3.422511786e+02 5.870393881e+02 3.359260930e+02 2.523695760e+02 1.08 5.893834586e+02 4.372165755e+02 5.832965133e+02 5.893748448e+02 5.893662310e+02 1.313524699e+02 3.212071198e+02 5.540187978e+02 3.169331112e+02 2.376506905e+02 1.10 5.568769229e+02 4.090006955e+02 5.493451673e+02 5.568681372e+02 5.568593514e+02 1.232729897e+02 3.013432627e+02 5.227065106e+02 2.986949799e+02 2.237038805e+02 1.12 5.260190965e+02 3.824457413e+02 5.172157063e+02 5.260101363e+02 5.260011760e+02 1.156250193e+02 2.825967126e+02 4.930186649e+02 2.812132700e+02 2.104910358e+02 1.14 4.967306467e+02 3.574590914e+02 4.868150313e+02 4.967215092e+02 4.967123717e+02 1.083871525e+02 2.649078228e+02 4.648753669e+02 2.644847416e+02 1.979758552e+02 1.16 4.689359189e+02 3.339531067e+02 4.580546475e+02 4.689266015e+02 4.689172841e+02 1.015389950e+02 2.482200296e+02 4.382005082e+02 2.485020284e+02 1.861237623e+02 1.18 4.425627713e+02 3.118448697e+02 4.308504414e+02 4.425532713e+02 4.425437714e+02 9.506111832e+01 2.324796971e+02 4.129215915e+02 2.332542698e+02 1.749018262e+02 1.20 4.175424165e+02 2.910559363e+02 4.051224695e+02 4.175327313e+02 4.175230460e+02 8.893501547e+01 2.176359680e+02 3.889695639e+02 2.187276857e+02 1.642786852e+02 1.22 3.938092695e+02 2.715121015e+02 3.807947564e+02 3.937993964e+02 3.937895232e+02 8.314305901e+01 2.036406238e+02 3.662786583e+02 2.049060939e+02 1.542244741e+02 1.24 3.713008035e+02 2.531431757e+02 3.577951026e+02 3.712907397e+02 3.712806760e+02 7.766846073e+01 1.904479498e+02 3.447862411e+02 1.917713718e+02 1.447107549e+02 1.26 3.499574108e+02 2.358827740e+02 3.360549014e+02 3.499471537e+02 3.499368967e+02 7.249523320e+01 1.780146091e+02 3.244326676e+02 1.793038640e+02 1.357104503e+02 1.28 3.297222709e+02 2.196681150e+02 3.155089648e+02 3.297118180e+02 3.297013650e+02 6.760815300e+01 1.662995208e+02 3.051611433e+02 1.674827395e+02 1.271977809e+02 1.30 3.105412241e+02 2.044398311e+02 2.960953571e+02 3.105305726e+02 3.105199210e+02 6.299272565e+01 1.552637459e+02 2.869175919e+02 1.562863035e+02 1.191482045e+02 1.32 2.923626503e+02 1.901417881e+02 2.777552371e+02 2.923517975e+02 2.923409448e+02 5.863515206e+01 1.448703781e+02 2.696505293e+02 1.456922659e+02 1.115383586e+02 1.34 2.751373538e+02 1.767209140e+02 2.604327073e+02 2.751262971e+02 2.751152405e+02 5.452229649e+01 1.350844399e+02 2.533109426e+02 1.356779729e+02 1.043460055e+02 1.36 2.588184525e+02 1.641270367e+02 2.440746709e+02 2.588071895e+02 2.587959264e+02 5.064165595e+01 1.258727850e+02 2.378521755e+02 1.262206039e+02 9.754997970e+01 1.38 2.433612732e+02 1.523127305e+02 2.286306944e+02 2.433498011e+02 2.433383291e+02 4.698133098e+01 1.172040040e+02 2.232298185e+02 1.172973389e+02 9.113013805e+01 1.40 2.287232499e+02 1.412331702e+02 2.140528786e+02 2.287115663e+02 2.286998827e+02 4.352999775e+01 1.090483363e+02 2.094016041e+02 1.088854988e+02 8.506731169e+01 1.42 2.148638282e+02 1.308459929e+02 2.002957340e+02 2.148519305e+02 2.148400328e+02 4.027688141e+01 1.013775855e+02 1.963273065e+02 1.009626629e+02 7.934326057e+01 1.44 2.017443730e+02 1.211111666e+02 1.873160633e+02 2.017322587e+02 2.017201444e+02 3.721173060e+01 9.416503945e+01 1.839686465e+02 9.350676589e+01 7.394062994e+01 1.46 1.893280803e+02 1.119908666e+02 1.750728491e+02 1.893157470e+02 1.893034137e+02 3.432479319e+01 8.738539404e+01 1.722892001e+02 8.649617696e+01 6.884290881e+01 1.48 1.775798940e+02 1.034493569e+02 1.635271469e+02 1.775673393e+02 1.775547846e+02 3.160679303e+01 8.101468128e+01 1.612543118e+02 7.990976405e+01 6.403439032e+01 1.50 1.664664249e+02 9.545287944e+01 1.526419836e+02 1.664536465e+02 1.664408680e+02 2.904890785e+01 7.503020051e+01 1.508310113e+02 7.372694458e+01 5.950013391e+01 1.52 1.559558745e+02 8.796954748e+01 1.423822604e+02 1.559428700e+02 1.559298655e+02 2.664274806e+01 6.941045337e+01 1.409879346e+02 6.792772503e+01 5.522592930e+01 1.54 1.460179616e+02 8.096924585e+01 1.327146609e+02 1.460047288e+02 1.459914960e+02 2.438033657e+01 6.413508194e+01 1.316952482e+02 6.249273075e+01 5.119826200e+01 1.56 1.366238525e+02 7.442353567e+01 1.236075630e+02 1.366103891e+02 1.365969258e+02 2.225408953e+01 5.918481003e+01 1.229245772e+02 5.740322748e+01 4.740428054e+01 1.58 1.277460939e+02 6.830556429e+01 1.150309557e+02 1.277323980e+02 1.277187021e+02 2.025679794e+01 5.454138740e+01 1.146489362e+02 5.264113588e+01 4.383176512e+01 1.60 1.193585496e+02 6.258997998e+01 1.069563595e+02 1.193446191e+02 1.193306886e+02 1.838161007e+01 5.018753689e+01 1.068426640e+02 4.818904008e+01 4.046909771e+01 1.62 1.114363393e+02 5.725285100e+01 9.935675046e+01 1.114221723e+02 1.114080052e+02 1.662201472e+01 4.610690409e+01 9.948136073e+01 4.403019109e+01 3.730523357e+01 1.64 1.039557804e+02 5.227158897e+01 9.220648870e+01 1.039413749e+02 1.039269694e+02 1.497182524e+01 4.228400964e+01 9.254182818e+01 4.014850608e+01 3.432967403e+01 1.66 9.689433239e+01 4.762487629e+01 8.548124937e+01 9.687968671e+01 9.686504104e+01 1.342516428e+01 3.870420397e+01 8.600201284e+01 3.652856403e+01 3.153244059e+01 1.68 9.023054402e+01 4.329259729e+01 7.915795770e+01 9.021565649e+01 9.020076897e+01 1.197644924e+01 3.535362425e+01 7.984095148e+01 3.315559840e+01 2.890405017e+01 1.70 8.394400245e+01 3.925577314e+01 7.321472686e+01 8.392887152e+01 8.391374060e+01 1.062037837e+01 3.221915356e+01 7.403871934e+01 3.001548737e+01 2.643549149e+01 1.72 7.801528497e+01 3.549650003e+01 6.763079891e+01 7.799990921e+01 7.798453345e+01 9.351917566e+00 2.928838220e+01 6.857638062e+01 2.709474199e+01 2.411820261e+01 1.74 7.242591278e+01 3.199789078e+01 6.238648860e+01 7.241029088e+01 7.239466898e+01 8.166287733e+00 2.654957080e+01 6.343594133e+01 2.438049270e+01 2.194404942e+01 1.76 6.715830690e+01 2.874401938e+01 5.746312991e+01 6.714243769e+01 6.712656848e+01 7.058952744e+00 2.399161552e+01 5.860030431e+01 2.186047446e+01 1.990530524e+01 1.78 6.219574614e+01 2.571986861e+01 5.284302521e+01 6.217962859e+01 6.216351104e+01 6.025607980e+00 2.160401482e+01 5.405322632e+01 1.952301088e+01 1.799463127e+01 1.80 5.752232682e+01 2.291128030e+01 4.850939678e+01 5.750596006e+01 5.748959330e+01 5.062169383e+00 1.937683806e+01 4.977927712e+01 1.735699738e+01 1.620505796e+01 1.82 5.312292453e+01 2.030490837e+01 4.444634089e+01 5.310630784e+01 5.308969116e+01 4.164763042e+00 1.730069562e+01 4.576380048e+01 1.535188379e+01 1.452996732e+01 1.84 4.898315741e+01 1.788817419e+01 4.063878391e+01 4.896629028e+01 4.894942314e+01 3.329715259e+00 1.536671061e+01 4.199287694e+01 1.349765644e+01 1.296307599e+01 1.86 4.508935132e+01 1.564922451e+01 3.707244068e+01 4.507223338e+01 4.505511544e+01 2.553543093e+00 1.356649194e+01 3.845328841e+01 1.178481994e+01 1.149841907e+01 1.88 4.142850640e+01 1.357689145e+01 3.373377492e+01 4.141113750e+01 4.139376860e+01 1.832945356e+00 1.189210887e+01 3.513248430e+01 1.020437870e+01 1.013033482e+01 1.90 3.798826529e+01 1.166065475e+01 3.060996149e+01 3.797064550e+01 3.795302570e+01 1.164794033e+00 1.033606675e+01 3.201854934e+01 8.747818421e+00 8.853449938e+00 1.92 3.475688278e+01 9.890606005e+00 2.768885059e+01 3.473901236e+01 3.472114194e+01 5.461261286e-01 8.891284094e+00 2.910017281e+01 7.407087538e+00 7.662665634e+00 1.94 3.172319678e+01 8.257414730e+00 2.495893363e+01 3.170507625e+01 3.168695571e+01 -2.586409964e-02 7.551070785e+00 2.636661927e+01 6.174578776e+00 6.553144291e+00 1.96 2.887660069e+01 6.752296368e+00 2.240931086e+01 2.885823080e+01 2.883986092e+01 -5.538325215e-01 6.309107401e+00 2.380770066e+01 5.043110837e+00 5.520296782e+00 1.98 2.620701702e+01 5.366981928e+00 2.002966049e+01 2.618839880e+01 2.616978059e+01 -1.040292151e+00 5.159425605e+00 2.141374967e+01 4.005910317e+00 4.559770370e+00 2.00 2.370487223e+01 4.093689281e+00 1.781020945e+01 2.368600697e+01 2.366714172e+01 -1.487619810e+00 4.096389550e+00 1.917559441e+01 3.056593886e+00 3.667437184e+00 2.02 2.136107267e+01 2.925095993e+00 1.574170546e+01 2.134196197e+01 2.132285128e+01 -1.898062462e+00 3.114678229e+00 1.708453422e+01 2.189150795e+00 2.839383231e+00 2.04 1.916698172e+01 1.854313626e+00 1.381539054e+01 1.914762748e+01 1.912827324e+01 -2.273743213e+00 2.209268744e+00 1.513231666e+01 1.397925729e+00 2.071897925e+00 2.06 1.711439792e+01 8.748634149e-01 1.202297588e+01 1.709480236e+01 1.707520680e+01 -2.616667011e+00 1.375420431e+00 1.331111558e+01 6.776020662e-01 1.361464118e+00 2.08 1.519553411e+01 -1.934673174e-02 1.035661780e+01 1.517569980e+01 1.515586548e+01 -2.928726040e+00 6.086598073e-01 1.161351020e+01 2.318554697e-02 7.047485931e-01 2.10 1.340299756e+01 -8.340439959e-01 8.808895081e+00 1.338292742e+01 1.336285729e+01 -3.211704835e+00 -9.523370601e-02 1.003246517e+01 -5.700115979e-01 9.859300869e-02 2.12 1.172977102e+01 -1.574611231e+00 7.372787259e+00 1.170946837e+01 1.168916572e+01 -3.467285115e+00 -7.402413197e-01 8.561311672e+00 -1.106386056e+00 -4.599947248e-01 2.14 1.016919462e+01 -2.246106430e+00 6.041654096e+00 1.014866317e+01 1.012813171e+01 -3.697050364e+00 -1.330117714e+00 7.193729272e+00 -1.590058357e+00 -9.738486631e-01 2.16 8.714948634e+00 -2.853281130e+00 4.809216024e+00 8.694192505e+00 8.673436377e+00 -3.902490149e+00 -1.868403209e+00 5.923728745e+00 -2.024887292e+00 -1.445652655e+00 2.18 7.361037035e+00 -3.400597826e+00 3.669535573e+00 7.340060810e+00 7.319084585e+00 -4.085004212e+00 -2.358435306e+00 4.745635665e+00 -2.414483829e+00 -1.877947798e+00 2.20 6.101771821e+00 -3.892246425e+00 2.616999724e+00 6.080580542e+00 6.059389263e+00 -4.245906330e+00 -2.803359623e+00 3.654074794e+00 -2.762224514e+00 -2.273139538e+00 2.22 4.931758068e+00 -4.332159807e+00 1.646303131e+00 4.910357267e+00 4.888956466e+00 -4.386427968e+00 -3.206140272e+00 2.643955205e+00 -3.071264349e+00 -2.633504430e+00 2.24 3.845879676e+00 -4.724028535e+00 7.524321909e-01 3.824275400e+00 3.802671124e+00 -4.507721742e+00 -3.569569681e+00 1.710456126e+00 -3.344549149e+00 -2.961196582e+00 2.26 2.839285787e+00 -5.071314760e+00 -6.935009846e-02 2.817484624e+00 2.795683461e+00 -4.610864701e+00 -3.896277919e+00 8.490134526e-01 -3.584827383e+00 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