# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Oliveira-D-S-Kuritza-D-P-Zavarize-M-et-al--Ga-P # implementation = 2025--Oliveira-D-S--Ga-P--LAMMPS--ipr1 # composition = GaP3 # 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 2025-12-17 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 3.430042050e+02 nan nan 0.96 3.100434228e+02 nan nan 0.98 2.777435290e+02 nan nan 1.00 2.479266530e+02 nan nan 1.02 2.220433225e+02 nan nan 1.04 1.996612340e+02 1.939262720e+02 nan 1.06 1.800285366e+02 1.810006317e+02 1.093323004e+03 1.08 1.624553226e+02 1.691116962e+02 9.827351131e+02 1.10 1.468087255e+02 1.582379228e+02 8.790559711e+02 1.12 1.329751734e+02 1.483535660e+02 7.825082568e+02 1.14 1.208080035e+02 1.392818826e+02 6.942178491e+02 1.16 1.099612578e+02 1.309008224e+02 6.144428803e+02 1.18 1.003155543e+02 1.231617260e+02 5.439355082e+02 1.20 9.170541078e+01 1.159478382e+02 4.796584555e+02 1.22 8.389862212e+01 1.091471945e+02 4.195578081e+02 1.24 7.668796326e+01 1.026871483e+02 3.648795294e+02 1.26 6.994250799e+01 9.650821602e+01 3.169712555e+02 1.28 6.358865596e+01 9.055455504e+01 2.741300574e+02 1.30 5.766447479e+01 8.480411750e+01 2.359495746e+02 1.32 5.221941157e+01 7.925679842e+01 2.023099327e+02 1.34 4.719123300e+01 7.391222671e+01 1.727554884e+02 1.36 4.252178121e+01 6.875310039e+01 1.469985059e+02 1.38 3.817982085e+01 6.378505590e+01 1.249046784e+02 1.40 3.417071692e+01 5.902679698e+01 1.061739104e+02 1.42 3.047716088e+01 5.449954249e+01 9.048652909e+01 1.44 2.708047200e+01 5.017945201e+01 7.743097118e+01 1.46 2.397290532e+01 4.603442174e+01 6.658810288e+01 1.48 2.115565869e+01 4.206035235e+01 5.771060463e+01 1.50 1.861202313e+01 3.827011684e+01 5.054600190e+01 1.52 1.629998430e+01 3.468194838e+01 4.477573196e+01 1.54 1.417836706e+01 3.130528237e+01 4.005622840e+01 1.56 1.224042608e+01 2.813181138e+01 3.612581294e+01 1.58 1.047606084e+01 2.514930430e+01 3.280783348e+01 1.60 8.864289786e+00 2.235381253e+01 2.994089440e+01 1.62 7.364143177e+00 1.974053368e+01 2.740293400e+01 1.64 5.938301066e+00 1.729926904e+01 2.507578005e+01 1.66 4.581207492e+00 1.502485878e+01 2.283990633e+01 1.68 3.302479716e+00 1.291969469e+01 2.062295133e+01 1.70 2.117051436e+00 1.098052071e+01 1.842689394e+01 1.72 1.032676519e+00 9.194711518e+00 1.624897715e+01 1.74 5.962897823e-02 7.543545213e+00 1.410033093e+01 1.76 -7.913468162e-01 6.018822385e+00 1.201071204e+01 1.78 -1.517957304e+00 4.625164236e+00 1.002010197e+01 1.80 -2.124516433e+00 3.367556009e+00 8.173824178e+00 1.82 -2.620895503e+00 2.243869189e+00 6.502028955e+00 1.84 -3.022233321e+00 1.246652882e+00 4.996067456e+00 1.86 -3.341589388e+00 3.685317054e-01 3.646216583e+00 1.88 -3.589742064e+00 -3.991973956e-01 2.441448380e+00 1.90 -3.774783175e+00 -1.064695429e+00 1.375573232e+00 1.92 -3.906274885e+00 -1.635490449e+00 4.478616420e-01 1.94 -3.995540208e+00 -2.119439786e+00 -3.451238065e-01 1.96 -4.054237560e+00 -2.527970682e+00 -1.019771523e+00 1.98 -4.091230193e+00 -2.875460443e+00 -1.601043529e+00 2.00 -4.114655217e+00 -3.174901187e+00 -2.109502994e+00 2.02 -4.128043156e+00 -3.430418285e+00 -2.550526238e+00 2.04 -4.131339855e+00 -3.641521901e+00 -2.926513579e+00 2.06 -4.124181059e+00 -3.810114551e+00 -3.244765743e+00 2.08 -4.106346472e+00 -3.940146334e+00 -3.511986789e+00 2.10 -4.078502866e+00 -4.037839324e+00 -3.735154818e+00 2.12 -4.041524873e+00 -4.109935395e+00 -3.920752938e+00 2.14 -3.995515806e+00 -4.160616035e+00 -4.072733763e+00 2.16 -3.940450552e+00 -4.193001067e+00 -4.192096909e+00 2.18 -3.879290799e+00 -4.211518134e+00 -4.280311517e+00 2.20 -3.817243465e+00 -4.219366879e+00 -4.339120264e+00 2.22 -3.757558162e+00 -4.218684239e+00 -4.373218643e+00 2.24 -3.702082513e+00 -4.210057976e+00 -4.388946740e+00 2.26 -3.648118510e+00 -4.192962900e+00 -4.392167184e+00 2.28 -3.595544030e+00 -4.168488125e+00 -4.385878876e+00 2.30 -3.545578415e+00 -4.138457051e+00 -4.366554238e+00 2.32 -3.500423296e+00 -4.104554264e+00 -4.334024664e+00 2.34 -3.462910859e+00 -4.067973919e+00 -4.289511205e+00 2.36 -3.435367519e+00 -4.028881266e+00 -4.235187082e+00 2.38 -3.418235863e+00 -3.989194259e+00 -4.173431376e+00 2.40 -3.409886494e+00 -3.949256451e+00 -4.107060953e+00 2.42 -3.408111847e+00 -3.907616048e+00 -4.038852279e+00 2.44 -3.424028290e+00 -3.864453436e+00 -3.970812108e+00 2.46 -3.467629399e+00 -3.819791221e+00 -3.904752529e+00 2.48 -3.521490421e+00 -3.773839098e+00 -3.841786586e+00 2.50 -3.572100454e+00 -3.726997273e+00 -3.783649041e+00 2.52 -3.610730789e+00 -3.679662604e+00 -3.731954086e+00 2.54 -3.633786754e+00 -3.632653094e+00 -3.687155531e+00 2.56 -3.645163369e+00 -3.587139831e+00 -3.648834343e+00 2.58 -3.648293098e+00 -3.544307428e+00 -3.615234228e+00 2.60 -3.646430370e+00 -3.505426484e+00 -3.584383970e+00 2.62 -3.641332178e+00 -3.471245449e+00 -3.555763833e+00 2.64 -3.634842934e+00 -3.442117709e+00 -3.530244826e+00 2.66 -3.626909948e+00 -3.419011272e+00 -3.508812952e+00 2.68 -3.615125537e+00 -3.416957434e+00 -3.492949050e+00 2.70 -3.596481401e+00 -3.435959262e+00 -3.481620253e+00 2.72 -3.569302603e+00 -3.476164070e+00 -3.471897761e+00 2.74 -3.533877325e+00 -3.519721956e+00 -3.463677782e+00 2.76 -3.494511436e+00 -3.552227752e+00 -3.479341570e+00 2.78 -3.456112671e+00 -3.569002400e+00 -3.523832695e+00 2.80 -3.421258911e+00 -3.572576527e+00 -3.572453487e+00 2.82 -3.385947983e+00 -3.566665008e+00 -3.609583387e+00 2.84 -3.346500629e+00 -3.554322537e+00 -3.627806045e+00 2.86 -3.300316277e+00 -3.538717747e+00 -3.630853962e+00 2.88 -3.244574050e+00 -3.519926951e+00 -3.624198390e+00 2.90 -3.176422597e+00 -3.496483310e+00 -3.611754075e+00 2.92 -3.097687737e+00 -3.469129646e+00 -3.596316226e+00 2.94 -3.010786244e+00 -3.441738009e+00 -3.579425439e+00 2.96 -2.917212155e+00 -3.417439194e+00 -3.561584099e+00 2.98 -2.817688379e+00 -3.396942514e+00 -3.541617081e+00 3.00 -2.712664245e+00 -3.379518636e+00 -3.517821069e+00 3.02 -2.612445232e+00 -3.366042116e+00 -3.491249717e+00 3.04 -2.526538654e+00 -3.358503023e+00 -3.463828923e+00 3.06 -2.459041001e+00 -3.354777335e+00 -3.436696408e+00 3.08 -2.412653146e+00 -3.349857837e+00 -3.410224052e+00 3.10 -2.389272929e+00 -3.338517757e+00 -3.384032528e+00 3.12 -2.387165599e+00 -3.313767415e+00 -3.357217721e+00 3.14 -2.395975577e+00 -3.267911249e+00 -3.328850186e+00 3.16 -2.404762466e+00 -3.212968539e+00 -3.296883388e+00 3.18 -2.403437616e+00 -3.155221706e+00 -3.257910803e+00 3.20 -2.382528764e+00 -3.098694844e+00 -3.208299210e+00 3.22 -2.345113091e+00 -3.044032870e+00 -3.144693648e+00 3.24 -2.311043064e+00 -2.990453902e+00 -3.065132512e+00 3.26 -2.278483700e+00 -2.936476202e+00 -2.972103714e+00 3.28 -2.244782210e+00 -2.880061247e+00 -2.872583401e+00 3.30 -2.208009658e+00 -2.818776852e+00 -2.774811169e+00 3.32 -2.166597552e+00 -2.750256114e+00 -2.687176793e+00 3.34 -2.121753163e+00 -2.675001105e+00 -2.617603144e+00 3.36 -2.079779862e+00 -2.595023724e+00 -2.572232935e+00 3.38 -2.041251764e+00 -2.512838449e+00 -2.547512932e+00 3.40 -2.006101567e+00 -2.431205772e+00 -2.534221219e+00 3.42 -1.974088924e+00 -2.352743872e+00 -2.521498448e+00 3.44 -1.944691727e+00 -2.279588638e+00 -2.496840418e+00 3.46 -1.916607255e+00 -2.213227636e+00 -2.447435979e+00 3.48 -1.889184587e+00 -2.154566061e+00 -2.382947295e+00 3.50 -1.862421690e+00 -2.104717737e+00 -2.323184816e+00 3.52 -1.835628596e+00 -2.064735102e+00 -2.267348601e+00 3.54 -1.808145393e+00 -2.035559241e+00 -2.214497823e+00 3.56 -1.779274612e+00 -2.017959032e+00 -2.164581562e+00 3.58 -1.748220796e+00 -2.009847635e+00 -2.118616463e+00 3.60 -1.714294866e+00 -2.007010016e+00 -2.077434806e+00 3.62 -1.677093429e+00 -2.005276833e+00 -2.041612735e+00 3.64 -1.636151786e+00 -2.000405636e+00 -2.011486354e+00 3.66 -1.591019629e+00 -1.987973461e+00 -1.987252441e+00 3.68 -1.541285160e+00 -1.965380087e+00 -1.968991494e+00 3.70 -1.486593333e+00 -1.943236057e+00 -1.956073975e+00 3.72 -1.426659442e+00 -1.923486252e+00 -1.947036830e+00 3.74 -1.361279609e+00 -1.905650037e+00 -1.940684565e+00 3.76 -1.290353537e+00 -1.889283335e+00 -1.935993389e+00 3.78 -1.214303855e+00 -1.873981586e+00 -1.931996989e+00 3.80 -1.134349197e+00 -1.859347044e+00 -1.927734163e+00 3.82 -1.052223936e+00 -1.844950295e+00 -1.922188391e+00 3.84 -9.701847125e-01 -1.830354526e+00 -1.914612840e+00 3.86 -8.909702864e-01 -1.815130132e+00 -1.904911169e+00 3.88 -8.177249511e-01 -1.798811640e+00 -1.893010531e+00 3.90 -7.538732836e-01 -1.780882168e+00 -1.878789508e+00 3.92 -7.029280203e-01 -1.760754766e+00 -1.862084588e+00 3.94 -6.661341137e-01 -1.737749004e+00 -1.842697390e+00 3.96 -6.403437159e-01 -1.711060046e+00 -1.820404331e+00 3.98 -6.219123700e-01 -1.679718856e+00 -1.794948503e+00 4.00 -6.069253358e-01 -1.642642471e+00 -1.766027214e+00 4.02 -5.918720135e-01 -1.599226274e+00 -1.733709163e+00 4.04 -5.741478118e-01 -1.549645331e+00 -1.699071130e+00 4.06 -5.517645331e-01 -1.494425021e+00 -1.663673619e+00 4.08 -5.234969213e-01 -1.434468907e+00 -1.629482451e+00 4.10 -4.908793928e-01 -1.371142615e+00 -1.598821406e+00 4.12 -4.626446213e-01 -1.306326567e+00 -1.573287056e+00 4.14 -4.497288464e-01 -1.243122188e+00 -1.551840594e+00 4.16 -4.619708616e-01 -1.185302403e+00 -1.532689568e+00 4.18 -5.073024093e-01 -1.134577342e+00 -1.513783800e+00 4.20 -5.935260191e-01 -1.090719157e+00 -1.492866140e+00 4.22 -7.188043686e-01 -1.052900326e+00 -1.466993500e+00 4.24 -8.679539817e-01 -1.019599646e+00 -1.431827774e+00 4.26 -1.016931726e+00 -9.893227823e-01 -1.392554191e+00 4.28 -1.138426101e+00 -9.606267928e-01 -1.355162192e+00 4.30 -1.208765641e+00 -9.320757635e-01 -1.319360815e+00 4.32 -1.222709267e+00 -9.022818875e-01 -1.284747121e+00 4.34 -1.191925490e+00 -8.701854116e-01 -1.250816348e+00 4.36 -1.130185973e+00 -8.362044223e-01 -1.216970549e+00 4.38 -1.050111686e+00 -8.016068464e-01 -1.182517920e+00 4.40 -9.618188665e-01 -7.677026486e-01 -1.146670998e+00 4.42 -8.729817078e-01 -7.357661870e-01 -1.108732224e+00 4.44 -7.929968306e-01 -7.069083189e-01 -1.068339293e+00 4.46 -7.326979048e-01 -6.815470155e-01 -1.025151459e+00 4.48 -7.044227713e-01 -6.591707565e-01 -9.788856299e-01 4.50 -7.145128241e-01 -6.382719388e-01 -9.296820472e-01 4.52 -7.655874982e-01 -6.168711654e-01 -8.780519332e-01 4.54 -8.609637897e-01 -5.942217380e-01 -8.249587309e-01 4.56 -1.001221447e+00 -5.705960666e-01 -7.720016333e-01 4.58 -1.181006791e+00 -5.469436870e-01 -7.216456761e-01 4.60 -1.387181739e+00 -5.264287147e-01 -6.775073128e-01 4.62 -1.598174269e+00 -5.259085410e-01 -6.446806309e-01 4.64 -1.783895000e+00 -5.691967652e-01 -6.288858105e-01 4.66 -1.910604202e+00 -6.780098072e-01 -6.347628316e-01 4.68 -1.956663792e+00 -8.668904279e-01 -6.647320481e-01 4.70 -1.907881474e+00 -1.139300218e+00 -7.180291185e-01 4.72 -1.753555804e+00 -1.486708584e+00 -7.908012988e-01 4.74 -1.495756274e+00 -1.889044449e+00 -8.818142117e-01 4.76 -1.176322897e+00 -2.314990030e+00 -9.836212638e-01 4.78 -8.632001825e-01 -2.723504733e+00 -1.079059274e+00 4.80 -6.063941205e-01 -3.066993925e+00 -1.145140232e+00 4.82 -4.298780532e-01 -3.309617570e+00 -1.164813640e+00 4.84 -3.334340215e-01 -3.449567549e+00 -1.139546774e+00 4.86 -2.971152894e-01 -3.497945689e+00 -1.079418021e+00 4.88 -2.962584301e-01 -3.467930889e+00 -9.979020228e-01 4.90 -3.153920119e-01 -3.374158025e+00 -9.084775275e-01 4.92 -3.484563568e-01 -3.233080901e+00 -8.224677172e-01 4.94 -3.928350911e-01 -3.061604141e+00 -7.482339302e-01 4.96 -4.469773758e-01 -2.876251222e+00 -6.915952778e-01 4.98 -5.088973566e-01 -2.692785024e+00 -6.572395582e-01 5.00 -5.759118244e-01 -2.526182971e+00 -6.510373045e-01 5.02 -6.443021786e-01 -2.378711134e+00 -6.786425357e-01 5.04 -7.087593859e-01 -2.238362186e+00 -7.416273945e-01 5.06 -7.626887934e-01 -2.112479258e+00 -8.424396090e-01 5.08 -7.986492056e-01 -2.007314372e+00 -9.825188050e-01 5.10 -8.091449430e-01 -1.923852186e+00 -1.159561887e+00 5.12 -7.877900723e-01 -1.859279742e+00 -1.365108579e+00 5.14 -7.307666364e-01 -1.808949377e+00 -1.582875504e+00 5.16 -6.384326307e-01 -1.768163111e+00 -1.788453919e+00 5.18 -5.167953793e-01 -1.733452902e+00 -1.950835427e+00 5.20 -3.798883341e-01 -1.695596812e+00 -2.036230983e+00 5.22 -2.528922974e-01 -1.600462924e+00 -2.027067830e+00 5.24 -1.557394465e-01 -1.454516121e+00 -1.938729412e+00 5.26 -9.561790738e-02 -1.279080780e+00 -1.795168202e+00 5.28 -6.898379981e-02 -1.093911347e+00 -1.621481326e+00 5.30 -6.599631000e-02 -9.151842963e-01 -1.440496973e+00 5.32 -7.525984761e-02 -7.545340464e-01 -1.270811193e+00 5.34 -8.720092408e-02 -6.190666014e-01 -1.126261403e+00 5.36 -9.518449550e-02 -5.120907546e-01 -1.016588508e+00 5.38 -9.900858090e-02 -4.343453150e-01 -9.490502762e-01 5.40 -1.018872128e-01 -3.855306142e-01 -9.307827126e-01 5.42 -1.034961900e-01 -3.634811495e-01 -9.656725989e-01 5.44 -1.038626940e-01 -3.637164032e-01 -1.050838013e+00 5.46 -1.031436264e-01 -3.836512647e-01 -1.185515510e+00 5.48 -1.015552660e-01 -4.220960891e-01 -1.370475996e+00 5.50 -9.934326111e-02 -4.784305549e-01 -1.606466785e+00 5.52 -9.675903665e-02 -5.519242469e-01 -1.892771808e+00 5.54 -9.404046886e-02 -6.411681417e-01 -2.225913284e+00 5.56 -9.139615839e-02 -7.436175114e-01 -2.598562501e+00 5.58 -8.899435001e-02 -8.552476341e-01 -2.998683623e+00 5.60 -8.695692285e-02 -9.703723290e-01 -3.409074304e+00 5.62 -8.535042571e-02 -1.081543027e+00 -3.806166310e+00 5.64 -8.419019138e-02 -1.179562323e+00 -4.159109032e+00 5.66 -8.347365223e-02 -1.254191158e+00 -4.433267500e+00 5.68 -8.320405084e-02 -1.295063744e+00 -4.593298213e+00 5.70 -8.341805953e-02 -1.292926032e+00 -4.607150423e+00 5.72 -8.421835856e-02 -1.241111250e+00 -4.450853375e+00 5.74 -8.580836810e-02 -1.137152610e+00 -4.113772584e+00 5.76 -8.852529884e-02 -9.843457980e-01 -3.603727923e+00 5.78 -9.286624994e-02 -7.929926598e-01 -2.951092502e+00 5.80 -9.949700473e-02 -5.810865240e-01 -2.211120307e+00 5.82 -1.089862144e-01 -3.781510498e-01 -1.478651797e+00 5.84 -1.213446648e-01 -2.169656084e-01 -8.635497853e-01 5.86 -1.361465071e-01 -1.145289356e-01 -4.260041729e-01 5.88 -1.525754459e-01 -7.123751488e-02 -1.732976191e-01 5.90 -1.695208000e-01 -7.511187194e-02 -7.324167291e-02 5.92 -1.857130324e-01 -1.078648864e-01 -7.359749125e-02 5.94 -1.998602732e-01 -1.508492230e-01 -1.211201464e-01 5.96 -2.107454686e-01 -1.892222855e-01 -1.748805185e-01 5.98 -2.172648683e-01 -2.133565135e-01 -2.106955466e-01 6.00 -2.186903171e-01 -2.186903223e-01 -2.186903248e-01