# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2003--Shim-J-H-Park-S-I-Cho-Y-W-Lee-B-J--Ni-W # implementation = 2003--Shim-J-H--Ni-W--LAMMPS--ipr1 # composition = Ni3W # 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 1.407323865e+03 nan nan 0.86 1.295605062e+03 nan nan 0.88 1.192378380e+03 nan nan 0.90 1.097017661e+03 nan nan 0.92 1.008941769e+03 1.047039256e+03 nan 0.94 9.276114299e+02 9.722125794e+02 1.402265101e+03 0.96 8.525262774e+02 9.024867307e+02 1.302483942e+03 0.98 7.832221127e+02 8.375250044e+02 1.209487307e+03 1.00 7.192683475e+02 7.770123514e+02 1.122828218e+03 1.02 6.602656255e+02 7.206540182e+02 1.042088405e+03 1.04 6.058436102e+02 6.681742685e+02 9.668764992e+02 1.06 5.556589236e+02 6.193151838e+02 8.968263425e+02 1.08 5.093932312e+02 5.738355389e+02 8.315954007e+02 1.10 4.667514569e+02 5.315097457e+02 7.708632722e+02 1.12 4.274601258e+02 4.921268636e+02 7.143302912e+02 1.14 3.912658193e+02 4.554896707e+02 6.617162157e+02 1.16 3.579337414e+02 4.214137924e+02 6.127589982e+02 1.18 3.272463824e+02 3.897268848e+02 5.672136313e+02 1.20 2.990022786e+02 3.602678687e+02 5.248510663e+02 1.22 2.730148576e+02 3.328862107e+02 4.854571978e+02 1.24 2.491113660e+02 3.074412504e+02 4.488319125e+02 1.26 2.271318708e+02 2.838015685e+02 4.147881968e+02 1.28 2.069283338e+02 2.618443950e+02 3.831512999e+02 1.30 1.883637488e+02 2.414550541e+02 3.537579500e+02 1.32 1.713113418e+02 2.225264448e+02 3.264556185e+02 1.34 1.556538268e+02 2.049585527e+02 3.011018312e+02 1.36 1.412827148e+02 1.886579938e+02 2.775635223e+02 1.38 1.280976716e+02 1.735375863e+02 2.557164285e+02 1.40 1.160059223e+02 1.595159496e+02 2.354445228e+02 1.42 1.049216968e+02 1.465171288e+02 2.166394816e+02 1.44 9.476571627e+01 1.344702426e+02 1.992001877e+02 1.46 8.546471555e+01 1.233091538e+02 1.830322634e+02 1.48 7.695100019e+01 1.129721605e+02 1.680476330e+02 1.50 6.916203509e+01 1.034017071e+02 1.541641141e+02 1.52 6.204006290e+01 9.454411339e+01 1.413050338e+02 1.54 5.553174985e+01 8.634932122e+01 1.293988695e+02 1.56 4.958785711e+01 7.877065716e+01 1.183789129e+02 1.58 4.416293606e+01 7.176461029e+01 1.081829553e+02 1.60 3.921504547e+01 6.529062434e+01 9.875299231e+01 1.62 3.470548939e+01 5.931090299e+01 9.003494861e+01 1.64 3.059857394e+01 5.379022781e+01 8.197841925e+01 1.66 2.686138199e+01 4.869578782e+01 7.453642812e+01 1.68 2.346356412e+01 4.399702003e+01 6.766520170e+01 1.70 2.037714507e+01 3.966546031e+01 6.132395744e+01 1.72 1.757634416e+01 3.567460379e+01 5.547470570e+01 1.74 1.503740911e+01 3.199977444e+01 5.008206449e+01 1.76 1.273846193e+01 2.861800295e+01 4.511308618e+01 1.78 1.065935628e+01 2.550791262e+01 4.053709543e+01 1.80 8.781545273e+00 2.264961270e+01 3.632553754e+01 1.82 7.087959218e+00 2.002459853e+01 3.245183677e+01 1.84 5.562892231e+00 1.761565838e+01 2.889126376e+01 1.86 4.191897480e+00 1.540678625e+01 2.562081163e+01 1.88 2.961690080e+00 1.338310040e+01 2.261908015e+01 1.90 1.860057355e+00 1.153076730e+01 1.986616749e+01 1.92 8.757757273e-01 9.836930417e+00 1.734356905e+01 1.94 -1.466084519e-03 8.289643890e+00 1.503408290e+01 1.96 -7.811381553e-01 6.877810406e+00 1.292172146e+01 1.98 -1.471935033e+00 5.591123270e+00 1.099162897e+01 2.00 -2.081836501e+00 4.420012286e+00 9.230004426e+00 2.02 -2.618163708e+00 3.355593226e+00 7.624029564e+00 2.04 -3.087631056e+00 2.389620652e+00 6.161801648e+00 2.06 -3.496394139e+00 1.514443890e+00 4.832270693e+00 2.08 -3.850094016e+00 7.229659245e-01 3.625180855e+00 2.10 -4.153898116e+00 8.605053781e-03 2.531015734e+00 2.12 -4.412537989e+00 -6.347408970e-01 1.540947303e+00 2.14 -4.630344179e+00 -1.212727956e+00 6.467882722e-01 2.16 -4.811278385e+00 -1.730597144e+00 -1.590523808e-01 2.18 -4.958963166e+00 -2.193203515e+00 -8.836108839e-01 2.20 -5.076709321e+00 -2.605043233e+00 -1.533407363e+00 2.22 -5.167541164e+00 -2.970278822e+00 -2.114481930e+00 2.24 -5.234219811e+00 -3.292762700e+00 -2.632428328e+00 2.26 -5.279264674e+00 -3.576059116e+00 -3.092425312e+00 2.28 -5.304973245e+00 -3.823464591e+00 -3.499265899e+00 2.30 -5.313439351e+00 -4.038026963e+00 -3.857384624e+00 2.32 -5.306569956e+00 -4.222563135e+00 -4.170882955e+00 2.34 -5.286100647e+00 -4.379675595e+00 -4.443552963e+00 2.36 -5.253609882e+00 -4.511767814e+00 -4.678899377e+00 2.38 -5.210532121e+00 -4.621058569e+00 -4.880160134e+00 2.40 -5.158169899e+00 -4.709595287e+00 -5.050325503e+00 2.42 -5.097704939e+00 -4.779266462e+00 -5.192155910e+00 2.44 -5.030208372e+00 -4.831813205e+00 -5.308198519e+00 2.46 -4.956650141e+00 -4.868840001e+00 -5.400802674e+00 2.48 -4.877907639e+00 -4.891824704e+00 -5.472134265e+00 2.50 -4.794773650e+00 -4.902127842e+00 -5.524189098e+00 2.52 -4.707963647e+00 -4.901001260e+00 -5.558805334e+00 2.54 -4.618122495e+00 -4.889596166e+00 -5.577675056e+00 2.56 -4.525829818e+00 -4.868970602e+00 -5.582355028e+00 2.58 -4.431598516e+00 -4.840096387e+00 -5.574276696e+00 2.60 -4.335900778e+00 -4.803865571e+00 -5.554755485e+00 2.62 -4.239177807e+00 -4.761096430e+00 -5.524999445e+00 2.64 -4.141787329e+00 -4.712539026e+00 -5.486117273e+00 2.66 -4.044063430e+00 -4.658880383e+00 -5.439125774e+00 2.68 -3.946303349e+00 -4.600749275e+00 -5.384956793e+00 2.70 -3.848770829e+00 -4.538720686e+00 -5.324463639e+00 2.72 -3.751699189e+00 -4.473319931e+00 -5.258427063e+00 2.74 -3.655294135e+00 -4.405026497e+00 -5.187560798e+00 2.76 -3.559736336e+00 -4.334277586e+00 -5.112516701e+00 2.78 -3.465183771e+00 -4.261471417e+00 -5.033889525e+00 2.80 -3.371773885e+00 -4.186970271e+00 -4.952221340e+00 2.82 -3.279625550e+00 -4.111103326e+00 -4.868005643e+00 2.84 -3.188840863e+00 -4.034169272e+00 -4.781691151e+00 2.86 -3.099506780e+00 -3.956438741e+00 -4.693685332e+00 2.88 -3.011696617e+00 -3.878156552e+00 -4.604357668e+00 2.90 -2.925471408e+00 -3.799543789e+00 -4.514042677e+00 2.92 -2.840881151e+00 -3.720799728e+00 -4.423042715e+00 2.94 -2.757965938e+00 -3.642103613e+00 -4.331630568e+00 2.96 -2.676756986e+00 -3.563616304e+00 -4.240051847e+00 2.98 -2.597277577e+00 -3.485481793e+00 -4.148527210e+00 3.00 -2.519543908e+00 -3.407828617e+00 -4.057254412e+00 3.02 -2.443565868e+00 -3.330771150e+00 -3.966410202e+00 3.04 -2.369347739e+00 -3.254410802e+00 -3.876152075e+00 3.06 -2.296888838e+00 -3.178837130e+00 -3.786619894e+00 3.08 -2.226184093e+00 -3.104128852e+00 -3.697937382e+00 3.10 -2.157224571e+00 -3.030354797e+00 -3.610213503e+00 3.12 -2.089997948e+00 -2.957574763e+00 -3.523542460e+00 3.14 -2.024488944e+00 -2.885840327e+00 -3.437869160e+00 3.16 -1.960679706e+00 -2.815195576e+00 -3.352671927e+00 3.18 -1.898550160e+00 -2.745677785e+00 -3.268226010e+00 3.20 -1.838078329e+00 -2.677318045e+00 -3.186566491e+00 3.22 -1.779240611e+00 -2.610141836e+00 -3.106299116e+00 3.24 -1.722012042e+00 -2.544169554e+00 -3.027432097e+00 3.26 -1.666366518e+00 -2.479416998e+00 -2.949994813e+00 3.28 -1.612277007e+00 -2.415895815e+00 -2.874010342e+00 3.30 -1.559715727e+00 -2.353613909e+00 -2.799496064e+00 3.32 -1.508654313e+00 -2.292575816e+00 -2.726464221e+00 3.34 -1.459063965e+00 -2.232783048e+00 -2.654922424e+00 3.36 -1.410915572e+00 -2.174234410e+00 -2.584874124e+00 3.38 -1.364179834e+00 -2.116926288e+00 -2.516319040e+00 3.40 -1.318827357e+00 -2.060852910e+00 -2.449253552e+00 3.42 -1.274828745e+00 -2.006006593e+00 -2.383671065e+00 3.44 -1.232154678e+00 -1.952377958e+00 -2.319562333e+00 3.46 -1.190775979e+00 -1.899956133e+00 -2.256915765e+00 3.48 -1.150663674e+00 -1.848728940e+00 -2.195717696e+00 3.50 -1.111789038e+00 -1.798683056e+00 -2.135952645e+00 3.52 -1.074123641e+00 -1.749804170e+00 -2.077603535e+00 3.54 -1.037639381e+00 -1.702077119e+00 -2.020651908e+00 3.56 -1.002308514e+00 -1.655486011e+00 -1.965078113e+00 3.58 -9.681036750e-01 -1.610014345e+00 -1.910861480e+00 3.60 -9.350205960e-01 -1.565645109e+00 -1.857980473e+00 3.62 -9.074851224e-01 -1.522360871e+00 -1.806412836e+00 3.64 -9.184857614e-01 -1.480143870e+00 -1.756135720e+00 3.66 -9.914901030e-01 -1.438976083e+00 -1.707125800e+00 3.68 -9.039975739e-01 -1.398839298e+00 -1.659359378e+00 3.70 -8.737928740e-01 -1.359715175e+00 -1.612812481e+00 3.72 -8.443113377e-01 -1.321585295e+00 -1.567460944e+00 3.74 -8.155391945e-01 -1.284431212e+00 -1.523280487e+00 3.76 -7.874627363e-01 -1.248234493e+00 -1.480246785e+00 3.78 -7.600683983e-01 -1.212976760e+00 -1.438335526e+00 3.80 -7.333428273e-01 -1.178639714e+00 -1.397522468e+00 3.82 -7.072729387e-01 -1.145209861e+00 -1.357783488e+00 3.84 -6.818459634e-01 -1.113112684e+00 -1.319094624e+00 3.86 -6.570494852e-01 -1.084303755e+00 -1.281432113e+00 3.88 -6.328714706e-01 -1.059229089e+00 -1.244772422e+00 3.90 -6.093002907e-01 -1.033600743e+00 -1.209092283e+00 3.92 -5.863247375e-01 -1.006395852e+00 -1.174368712e+00 3.94 -5.639362479e-01 -9.799666112e-01 -1.140579036e+00 3.96 -5.441138444e-01 -9.542906888e-01 -1.107700907e+00 3.98 -5.419561801e-01 -9.293456280e-01 -1.075712323e+00 4.00 -5.705139329e-01 -9.051088408e-01 -1.044591635e+00 4.02 -3.520378976e-01 -8.815576032e-01 -1.014317563e+00 4.04 -3.274968032e-01 -8.586690526e-01 -9.848692058e-01 4.06 -3.204048791e-01 -8.364201906e-01 -9.562260415e-01 4.08 -3.134656011e-01 -8.147878910e-01 -9.283679391e-01 4.10 -3.066755813e-01 -7.937489142e-01 -9.012751593e-01 4.12 -3.000315139e-01 -7.732799300e-01 -8.749283578e-01 4.14 -2.935301731e-01 -7.533575487e-01 -8.493085860e-01 4.16 -2.871684111e-01 -7.339583628e-01 -8.243972914e-01 4.18 -2.809431558e-01 -7.150589990e-01 -8.001763164e-01 4.20 -2.748514092e-01 -6.966361823e-01 -7.766278971e-01 4.22 -2.688902454e-01 -6.786668120e-01 -7.537346602e-01 4.24 -2.630568084e-01 -6.611280492e-01 -7.314796203e-01 4.26 -2.573483106e-01 -6.439974170e-01 -7.098461760e-01 4.28 -2.517620307e-01 -6.272529107e-01 -6.888181056e-01 4.30 -2.462953120e-01 -6.108731186e-01 -6.683795624e-01 4.32 -2.409455609e-01 -5.948373498e-01 -6.485150699e-01 4.34 -2.357102447e-01 -5.791257680e-01 -6.292095162e-01 4.36 -2.305868905e-01 -5.637195272e-01 -6.104481485e-01 4.38 -2.255730831e-01 -5.486009070e-01 -5.922165671e-01 4.40 -2.206664639e-01 -5.337534419e-01 -5.745007195e-01 4.42 -2.154046582e-01 -5.187307949e-01 -5.573899754e-01 4.44 -2.039697676e-01 -4.979331909e-01 -5.418715084e-01 4.46 -1.710410726e-01 -4.499803315e-01 -5.176310682e-01 4.48 -9.532373163e-02 -3.004925119e-01 -3.843929097e-01 4.50 -1.383649431e-22 -3.206645344e-22 -2.912689288e-22 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 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