# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Chrobak-D-Majtyka-Pilat-A-Ziolkowski-G-Chrobak-A--In-P # implementation = 2022--Chrobak-D--In-P--LAMMPS--ipr1 # composition = InP3 # 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 2023-02-07 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 2.557994271e+03 nan nan 0.74 2.287725132e+03 nan nan 0.76 2.048673758e+03 nan nan 0.78 1.837762804e+03 2.626444501e+03 nan 0.80 1.650372664e+03 2.368417804e+03 nan 0.82 1.484449677e+03 2.138945297e+03 2.405067429e+03 0.84 1.336834655e+03 1.935080420e+03 2.177833436e+03 0.86 1.205226541e+03 1.752179857e+03 1.973914920e+03 0.88 1.088177791e+03 1.587929002e+03 1.791694012e+03 0.90 9.831400396e+02 1.441266631e+03 1.627990160e+03 0.92 8.889975250e+02 1.309729698e+03 1.479815369e+03 0.94 8.050608699e+02 1.191061488e+03 1.346925356e+03 0.96 7.296913965e+02 1.083182033e+03 1.227740718e+03 0.98 6.613430693e+02 9.860146100e+02 1.119909890e+03 1.00 5.997891283e+02 8.990622621e+02 1.022022031e+03 1.02 5.448000981e+02 8.205809164e+02 9.334929697e+02 1.04 4.952811773e+02 7.494966613e+02 8.535652495e+02 1.06 4.504211158e+02 6.849330745e+02 7.810446404e+02 1.08 4.096868899e+02 6.261565377e+02 7.149846538e+02 1.10 3.728570551e+02 5.725083725e+02 6.544828562e+02 1.12 3.396373154e+02 5.238693077e+02 5.994137698e+02 1.14 3.096170006e+02 4.798944752e+02 5.495931800e+02 1.16 2.823745080e+02 4.398421743e+02 5.043029700e+02 1.18 2.576225843e+02 4.032528229e+02 4.630497568e+02 1.20 2.350286242e+02 3.698654472e+02 4.253658486e+02 1.22 2.141289059e+02 3.393874995e+02 3.907780984e+02 1.24 1.950710963e+02 3.115274091e+02 3.586759534e+02 1.26 1.779634355e+02 2.859067723e+02 3.292675432e+02 1.28 1.625801115e+02 2.623271689e+02 3.026954516e+02 1.30 1.485510168e+02 2.406096483e+02 2.786465413e+02 1.32 1.357416701e+02 2.208445535e+02 2.565538457e+02 1.34 1.240358514e+02 2.029252727e+02 2.362313127e+02 1.36 1.133344481e+02 1.866617482e+02 2.175573292e+02 1.38 1.035645278e+02 1.717523260e+02 2.004231862e+02 1.40 9.464213236e+01 1.580516885e+02 1.846984162e+02 1.42 8.633457983e+01 1.454563820e+02 1.702148602e+02 1.44 7.862494195e+01 1.338724194e+02 1.568520127e+02 1.46 7.160415808e+01 1.232123845e+02 1.443856719e+02 1.48 6.529147145e+01 1.133873828e+02 1.328230382e+02 1.50 5.959551983e+01 1.043210647e+02 1.222181445e+02 1.52 5.437220207e+01 9.596133546e+01 1.125821014e+02 1.54 4.958941788e+01 8.823984966e+01 1.037898936e+02 1.56 4.520881158e+01 8.111262715e+01 9.570161804e+01 1.58 4.115216572e+01 7.453443528e+01 8.823786999e+01 1.60 3.739110367e+01 6.848007012e+01 8.134474493e+01 1.62 3.391915296e+01 6.290359371e+01 7.497693895e+01 1.64 3.074698282e+01 5.774184181e+01 6.909295367e+01 1.66 2.788524926e+01 5.297443682e+01 6.365475684e+01 1.68 2.528044358e+01 4.858058351e+01 5.862589206e+01 1.70 2.288888068e+01 4.444298231e+01 5.394874355e+01 1.72 2.068736813e+01 4.057407126e+01 4.958022212e+01 1.74 1.865774509e+01 3.701715516e+01 4.550219749e+01 1.76 1.679214671e+01 3.380860709e+01 4.172461932e+01 1.78 1.508170445e+01 3.094176478e+01 3.826344235e+01 1.80 1.347880471e+01 2.830219382e+01 3.511549369e+01 1.82 1.197894340e+01 2.583582946e+01 3.221752248e+01 1.84 1.060051552e+01 2.353512179e+01 2.953557351e+01 1.86 9.359332561e+00 2.140062906e+01 2.702796407e+01 1.88 8.258163581e+00 1.944031600e+01 2.461001084e+01 1.90 7.277534722e+00 1.766020317e+01 2.232243219e+01 1.92 6.380389653e+00 1.603081590e+01 2.021408660e+01 1.94 5.558600248e+00 1.452475309e+01 1.831686993e+01 1.96 4.806278616e+00 1.313294737e+01 1.663766460e+01 1.98 4.113788446e+00 1.184701362e+01 1.513225719e+01 2.00 3.471206611e+00 1.065919540e+01 1.373856120e+01 2.02 2.878808287e+00 9.562315830e+00 1.244775874e+01 2.04 2.338148459e+00 8.549732468e+00 1.125249742e+01 2.06 1.850706297e+00 7.615295860e+00 1.014495111e+01 2.08 1.415923497e+00 6.753311470e+00 9.112298346e+00 2.10 1.024669192e+00 5.952235985e+00 8.148428577e+00 2.12 6.693523506e-01 5.200791615e+00 7.249793618e+00 2.14 3.471467054e-01 4.500177860e+00 6.415104915e+00 2.16 5.544308993e-02 3.853400922e+00 5.645412055e+00 2.18 -2.081676406e-01 3.264257101e+00 4.942430463e+00 2.20 -4.459102817e-01 2.734948294e+00 4.304601430e+00 2.22 -6.598396690e-01 2.259019367e+00 3.718373497e+00 2.24 -8.518538941e-01 1.822714512e+00 3.177761984e+00 2.26 -1.023706449e+00 1.422775096e+00 2.679555952e+00 2.28 -1.177017390e+00 1.056545700e+00 2.220769643e+00 2.30 -1.313283604e+00 7.215618534e-01 1.798626172e+00 2.32 -1.433888255e+00 4.155359323e-01 1.410542453e+00 2.34 -1.540109477e+00 1.363441545e-01 1.054115266e+00 2.36 -1.633128380e+00 -1.179854332e-01 7.271083751e-01 2.38 -1.711286159e+00 -3.492840468e-01 4.274406007e-01 2.40 -1.766490784e+00 -5.592524135e-01 1.531747934e-01 2.42 -1.805772108e+00 -7.494702414e-01 -9.890645873e-02 2.44 -1.841693822e+00 -9.214049755e-01 -3.327085250e-01 2.46 -1.888668911e+00 -1.076419893e+00 -5.483108732e-01 2.48 -1.956753389e+00 -1.215781596e+00 -7.454236626e-01 2.50 -2.039844437e+00 -1.340666936e+00 -9.236374262e-01 2.52 -2.106666053e+00 -1.451944850e+00 -1.082706525e+00 2.54 -2.126479177e+00 -1.549128986e+00 -1.222968719e+00 2.56 -2.132437093e+00 -1.634464049e+00 -1.346534026e+00 2.58 -2.133741288e+00 -1.711681734e+00 -1.457124807e+00 2.60 -2.130825951e+00 -1.784556777e+00 -1.555826403e+00 2.62 -2.124092476e+00 -1.855336193e+00 -1.643518189e+00 2.64 -2.113911800e+00 -1.922914640e+00 -1.721019327e+00 2.66 -2.100626570e+00 -1.982031333e+00 -1.789092894e+00 2.68 -2.084553164e+00 -2.025573619e+00 -1.848449709e+00 2.70 -2.065983570e+00 -2.053698793e+00 -1.899751899e+00 2.72 -2.045187127e+00 -2.075619160e+00 -1.943616211e+00 2.74 -2.022412148e+00 -2.092181768e+00 -1.980617089e+00 2.76 -1.997887432e+00 -2.103831427e+00 -2.011289543e+00 2.78 -1.971823659e+00 -2.111211010e+00 -2.036131813e+00 2.80 -1.944414702e+00 -2.115829990e+00 -2.055607850e+00 2.82 -1.915838831e+00 -2.117018616e+00 -2.070149629e+00 2.84 -1.886259848e+00 -2.114495973e+00 -2.080159295e+00 2.86 -1.855828130e+00 -2.108660973e+00 -2.086011171e+00 2.88 -1.810035261e+00 -2.100010063e+00 -2.088053621e+00 2.90 -1.727298495e+00 -2.088429708e+00 -2.086610791e+00 2.92 -1.604994869e+00 -2.061338721e+00 -2.072472018e+00 2.94 -1.439292656e+00 -2.008458446e+00 -2.038603121e+00 2.96 -1.230995875e+00 -1.937800616e+00 -1.990790856e+00 2.98 -9.805397459e-01 -1.862406046e+00 -1.938262182e+00 3.00 -6.665213002e-01 -1.797279958e+00 -1.894970713e+00 3.02 -3.564314957e-01 -1.763006580e+00 -1.881949101e+00 3.04 -1.701877869e-01 -1.785828818e+00 -1.929955542e+00 3.06 -8.358561081e-02 -1.881964934e+00 -2.072738501e+00 3.08 -2.256221964e-02 -1.974365807e+00 -2.281359083e+00 3.10 0.000000000e+00 -1.963449023e+00 -2.364119685e+00 3.12 0.000000000e+00 -1.929197711e+00 -2.328097271e+00 3.14 0.000000000e+00 -1.894834511e+00 -2.291501276e+00 3.16 0.000000000e+00 -1.860421034e+00 -2.254434837e+00 3.18 0.000000000e+00 -1.826013878e+00 -2.216993292e+00 3.20 0.000000000e+00 -1.791664960e+00 -2.179264677e+00 3.22 0.000000000e+00 -1.728997586e+00 -2.116549849e+00 3.24 0.000000000e+00 -1.610642174e+00 -2.002026161e+00 3.26 0.000000000e+00 -1.439260531e+00 -1.828630329e+00 3.28 0.000000000e+00 -1.223037771e+00 -1.587415872e+00 3.30 0.000000000e+00 -9.770224839e-01 -1.283793789e+00 3.32 0.000000000e+00 -7.135562978e-01 -9.512446861e-01 3.34 0.000000000e+00 -4.370447609e-01 -6.214721216e-01 3.36 0.000000000e+00 -1.994459199e-01 -2.984085722e-01 3.38 0.000000000e+00 -4.997138457e-02 -7.495678145e-02 3.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 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