# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Zhou-X-W-Jones-R-E-Chu-K--In-Ga-N # implementation = 2017--Zhou-X-W--In-Ga-N--LAMMPS--ipr1 # composition = GaIn3 # 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 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 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 2.556127009e+02 nan nan 1.16 2.375335176e+02 nan nan 1.18 2.207995074e+02 nan nan 1.20 2.053016319e+02 nan nan 1.22 1.909406651e+02 nan nan 1.24 1.776257956e+02 2.582196622e+02 nan 1.26 1.652738441e+02 2.413782449e+02 nan 1.28 1.538086052e+02 2.256952010e+02 2.536424464e+02 1.30 1.431603270e+02 2.110835803e+02 2.375482057e+02 1.32 1.332651203e+02 1.974637813e+02 2.225433497e+02 1.34 1.240643769e+02 1.847626075e+02 2.085469984e+02 1.36 1.155042511e+02 1.729123978e+02 1.954832874e+02 1.38 1.075352110e+02 1.618503885e+02 1.832811280e+02 1.40 1.001117613e+02 1.515182314e+02 1.718743018e+02 1.42 9.319222253e+01 1.418616300e+02 1.612016559e+02 1.44 8.673860148e+01 1.328301939e+02 1.512072330e+02 1.46 8.071645354e+01 1.243773498e+02 1.418402555e+02 1.48 7.509467627e+01 1.164604077e+02 1.330549269e+02 1.50 6.984522404e+01 1.090405611e+02 1.248100791e+02 1.52 6.494276475e+01 1.020828339e+02 1.170687118e+02 1.54 6.036425454e+01 9.555587815e+01 1.097974975e+02 1.56 5.608851774e+01 8.943158947e+01 1.029662633e+02 1.58 5.209587629e+01 8.368467840e+01 9.654751588e+01 1.60 4.836785747e+01 7.829206870e+01 9.051600229e+01 1.62 4.488698447e+01 7.323243102e+01 8.484834351e+01 1.64 4.163667188e+01 6.848572378e+01 7.952271252e+01 1.66 3.860118027e+01 6.403290091e+01 7.451862759e+01 1.68 3.576563801e+01 5.985575622e+01 6.981676713e+01 1.70 3.311607098e+01 5.593691260e+01 6.539890423e+01 1.72 3.063942983e+01 5.225984996e+01 6.124782072e+01 1.74 2.832360973e+01 4.880899519e+01 5.734726607e+01 1.76 2.615742809e+01 4.556979684e+01 5.368191985e+01 1.78 2.413061582e+01 4.252874715e+01 5.023732513e+01 1.80 2.223374273e+01 3.967335252e+01 4.699982875e+01 1.82 2.045815993e+01 3.699205007e+01 4.395651589e+01 1.84 1.879593322e+01 3.447409316e+01 4.109514126e+01 1.86 1.723978151e+01 3.210941922e+01 3.840408684e+01 1.88 1.578301090e+01 2.988852533e+01 3.587234182e+01 1.90 1.441948788e+01 2.780236666e+01 3.348949697e+01 1.92 1.314358119e+01 2.584230408e+01 3.124576875e+01 1.94 1.195013072e+01 2.400006732e+01 2.913204255e+01 1.96 1.083440424e+01 2.226776475e+01 2.713989013e+01 1.98 9.792054847e+00 2.063790982e+01 2.526159668e+01 2.00 8.819068838e+00 1.910346888e+01 2.349015582e+01 2.02 7.911720218e+00 1.765789543e+01 2.181925995e+01 2.04 7.066502569e+00 1.629519426e+01 2.024324118e+01 2.06 6.280099394e+00 1.500992670e+01 1.875700674e+01 2.08 5.549324615e+00 1.379722765e+01 1.735594442e+01 2.10 4.871093489e+00 1.265279500e+01 1.603584428e+01 2.12 4.242399577e+00 1.157285459e+01 1.479279412e+01 2.14 3.660303717e+00 1.055411880e+01 1.362309940e+01 2.16 3.121932046e+00 9.593716780e+00 1.252321509e+01 2.18 2.624486701e+00 8.689130995e+00 1.148968415e+01 2.20 2.165258323e+00 7.838119945e+00 1.051912099e+01 2.22 1.741646299e+00 7.038648301e+00 9.608181735e+00 2.24 1.351167993e+00 6.288821706e+00 8.753568784e+00 2.26 9.914893241e-01 5.586831170e+00 7.952043343e+00 2.28 6.604274144e-01 4.930904544e+00 7.200442322e+00 2.30 3.559562924e-01 4.319271814e+00 6.495702670e+00 2.32 7.621585867e-02 3.750148968e+00 5.834895534e+00 2.34 -1.804968639e-01 3.221714880e+00 5.215239896e+00 2.36 -4.157342972e-01 2.732109035e+00 4.634126489e+00 2.38 -6.309104311e-01 2.279432198e+00 4.089132022e+00 2.40 -8.273156719e-01 1.861752395e+00 3.578027599e+00 2.42 -1.006132455e+00 1.477116347e+00 3.098780598e+00 2.44 -1.168456822e+00 1.123552769e+00 2.649547809e+00 2.46 -1.315307817e+00 7.991010038e-01 2.228668531e+00 2.48 -1.447649032e+00 5.018139544e-01 1.834646768e+00 2.50 -1.566399496e+00 2.297763506e-01 1.466132345e+00 2.52 -1.672449926e+00 -1.888049555e-02 1.121901264e+00 2.54 -1.766666839e+00 -2.459647316e-01 8.008327056e-01 2.56 -1.849898116e+00 -4.532109698e-01 5.018877708e-01 2.58 -1.922980699e+00 -6.422687474e-01 2.240932440e-01 2.60 -1.986739439e+00 -8.146927691e-01 -3.349456157e-02 2.62 -2.041985620e+00 -9.719351393e-01 -2.717742339e-01 2.64 -2.089513469e+00 -1.115340354e+00 -4.916355192e-01 2.66 -2.130095134e+00 -1.246142485e+00 -6.939611252e-01 2.68 -2.164474524e+00 -1.365466819e+00 -8.796328582e-01 2.70 -2.193360662e+00 -1.474326536e+00 -1.049535069e+00 2.72 -2.217420962e+00 -1.573633708e+00 -1.204555567e+00 2.74 -2.237274974e+00 -1.664204970e+00 -1.345584528e+00 2.76 -2.253488963e+00 -1.746763450e+00 -1.473511646e+00 2.78 -2.266571729e+00 -1.821954066e+00 -1.589221999e+00 2.80 -2.276971830e+00 -1.890350688e+00 -1.693590335e+00 2.82 -2.285076440e+00 -1.952465666e+00 -1.787477728e+00 2.84 -2.291211800e+00 -2.008758842e+00 -1.871721207e+00 2.86 -2.295645257e+00 -2.059645878e+00 -1.947130602e+00 2.88 -2.298588701e+00 -2.105505531e+00 -2.014481398e+00 2.90 -2.300203215e+00 -2.146685796e+00 -2.074508930e+00 2.92 -2.300604008e+00 -2.183508802e+00 -2.127903191e+00 2.94 -2.299869380e+00 -2.216274577e+00 -2.175304438e+00 2.96 -2.298041821e+00 -2.245263193e+00 -2.217299837e+00 2.98 -2.295141409e+00 -2.270738969e+00 -2.254421181e+00 3.00 -2.291165477e+00 -2.292947586e+00 -2.287143897e+00 3.02 -2.286098603e+00 -2.312119744e+00 -2.315886890e+00 3.04 -2.279917421e+00 -2.328470598e+00 -2.341015107e+00 3.06 -2.272593027e+00 -2.342199926e+00 -2.362840650e+00 3.08 -2.264098878e+00 -2.353492295e+00 -2.381630094e+00 3.10 -2.254408444e+00 -2.362517284e+00 -2.397601946e+00 3.12 -2.243501204e+00 -2.369429837e+00 -2.410938329e+00 3.14 -2.231363070e+00 -2.374370759e+00 -2.421788437e+00 3.16 -2.217987275e+00 -2.377467345e+00 -2.430274407e+00 3.18 -2.203374792e+00 -2.378834133e+00 -2.436497138e+00 3.20 -2.187534261e+00 -2.378573759e+00 -2.440541888e+00 3.22 -2.170481631e+00 -2.376777855e+00 -2.442483384e+00 3.24 -2.152239528e+00 -2.373528006e+00 -2.442390369e+00 3.26 -2.132836488e+00 -2.368896698e+00 -2.440329459e+00 3.28 -2.112306089e+00 -2.362948250e+00 -2.436368170e+00 3.30 -2.090686061e+00 -2.355739753e+00 -2.430577236e+00 3.32 -2.068017385e+00 -2.347321950e+00 -2.423032081e+00 3.34 -2.044343499e+00 -2.337740102e+00 -2.413813622e+00 3.36 -2.019709531e+00 -2.327034781e+00 -2.403008370e+00 3.38 -1.994161652e+00 -2.315242663e+00 -2.390708056e+00 3.40 -1.967746528e+00 -2.302397037e+00 -2.377008771e+00 3.42 -1.940510361e+00 -2.288528879e+00 -2.362008791e+00 3.44 -1.912500817e+00 -2.273668029e+00 -2.345811770e+00 3.46 -1.883763035e+00 -2.257841496e+00 -2.328517802e+00 3.48 -1.854342271e+00 -2.241076109e+00 -2.310227612e+00 3.50 -1.824282875e+00 -2.223398204e+00 -2.291039600e+00 3.52 -1.793629003e+00 -2.204833955e+00 -2.271048647e+00 3.54 -1.762423396e+00 -2.185408862e+00 -2.250345082e+00 3.56 -1.730708455e+00 -2.165151356e+00 -2.229013897e+00 3.58 -1.698526029e+00 -2.144086073e+00 -2.207134120e+00 3.60 -1.665917566e+00 -2.122243286e+00 -2.184778426e+00 3.62 -1.632924203e+00 -2.099649308e+00 -2.162012935e+00 3.64 -1.599586921e+00 -2.076332707e+00 -2.138897154e+00 3.66 -1.565945352e+00 -2.052322477e+00 -2.115484097e+00 3.68 -1.532043419e+00 -2.027647972e+00 -2.091820483e+00 3.70 -1.497920268e+00 -2.002338473e+00 -2.067947054e+00 3.72 -1.463617092e+00 -1.976424709e+00 -2.043898922e+00 3.74 -1.429175196e+00 -1.949936086e+00 -2.019705995e+00 3.76 -1.394635585e+00 -1.922902650e+00 -1.995393369e+00 3.78 -1.360040624e+00 -1.895354447e+00 -1.970981792e+00 3.80 -1.325431137e+00 -1.867321461e+00 -1.946488075e+00 3.82 -1.290848398e+00 -1.838833576e+00 -1.921925495e+00 3.84 -1.256333416e+00 -1.809920590e+00 -1.897304219e+00 3.86 -1.221926767e+00 -1.780612178e+00 -1.872631632e+00 3.88 -1.187668439e+00 -1.750937928e+00 -1.847912731e+00 3.90 -1.153597648e+00 -1.720927344e+00 -1.823150415e+00 3.92 -1.119752675e+00 -1.690609875e+00 -1.798345126e+00 3.94 -1.086170669e+00 -1.660014957e+00 -1.773498059e+00 3.96 -1.052887476e+00 -1.629172010e+00 -1.748605439e+00 3.98 -1.019937473e+00 -1.598110494e+00 -1.723667193e+00 4.00 -9.873534095e-01 -1.566859903e+00 -1.698678227e+00 4.02 -9.551662780e-01 -1.535449792e+00 -1.673634435e+00 4.04 -9.234051916e-01 -1.503909760e+00 -1.648531221e+00 4.06 -8.920972908e-01 -1.472269447e+00 -1.623363655e+00 4.08 -8.612676734e-01 -1.440558491e+00 -1.598126609e+00 4.10 -8.309393600e-01 -1.408806505e+00 -1.572814879e+00 4.12 -8.011332725e-01 -1.377043009e+00 -1.547423305e+00 4.14 -7.718682336e-01 -1.345297350e+00 -1.521946836e+00 4.16 -7.431610150e-01 -1.313598635e+00 -1.496380650e+00 4.18 -7.150263853e-01 -1.281975622e+00 -1.470720210e+00 4.20 -6.874771896e-01 -1.250455790e+00 -1.444961359e+00 4.22 -6.605244290e-01 -1.219068832e+00 -1.419100380e+00 4.24 -6.341773877e-01 -1.187840643e+00 -1.393134055e+00 4.26 -6.084437293e-01 -1.156797543e+00 -1.367059761e+00 4.28 -5.833296313e-01 -1.125964926e+00 -1.340875359e+00 4.30 -5.588399004e-01 -1.095367169e+00 -1.314579951e+00 4.32 -5.349781064e-01 -1.065027524e+00 -1.288172844e+00 4.34 -5.117466961e-01 -1.034968020e+00 -1.261654443e+00 4.36 -4.891471047e-01 -1.005209387e+00 -1.235026094e+00 4.38 -4.671798629e-01 -9.757709910e-01 -1.208290169e+00 4.40 -4.458446864e-01 -9.466707825e-01 -1.181450135e+00 4.42 -4.251405542e-01 -9.179252635e-01 -1.154510634e+00 4.44 -4.050657736e-01 -8.895494781e-01 -1.127477557e+00 4.46 -3.856180304e-01 -8.615570172e-01 -1.100358116e+00 4.48 -3.667944244e-01 -8.339600462e-01 -1.073160910e+00 4.50 -3.485914937e-01 -8.067693475e-01 -1.045895981e+00 4.52 -3.310052262e-01 -7.799943897e-01 -1.018574869e+00 4.54 -3.140310566e-01 -7.536434011e-01 -9.912106447e-01 4.56 -2.976638617e-01 -7.277234636e-01 -9.638179392e-01 4.58 -2.818979453e-01 -7.022406278e-01 -9.364129680e-01 4.60 -2.667270170e-01 -6.772000202e-01 -9.090135188e-01 4.62 -2.521441734e-01 -6.526059627e-01 -8.816389316e-01 4.64 -2.381418755e-01 -6.284621129e-01 -8.543100850e-01 4.66 -2.247119299e-01 -6.047715703e-01 -8.270493162e-01 4.68 -2.118454764e-01 -5.815370219e-01 -7.998803822e-01 4.70 -1.995329753e-01 -5.587608449e-01 -7.728283493e-01 4.72 -1.877642098e-01 -5.364452253e-01 -7.459194989e-01 4.74 -1.765282899e-01 -5.145922583e-01 -7.191812045e-01 4.76 -1.658136671e-01 -4.932040303e-01 -6.926417844e-01 4.78 -1.556081598e-01 -4.722826980e-01 -6.663303548e-01 4.80 -1.458989870e-01 -4.518305390e-01 -6.402766513e-01 4.82 -1.366728077e-01 -4.318499960e-01 -6.145108516e-01 4.84 -1.279157721e-01 -4.123436948e-01 -5.890628863e-01 4.86 -1.196135804e-01 -3.933144544e-01 -5.639643390e-01 4.88 -1.117515430e-01 -3.747652680e-01 -5.392448444e-01 4.90 -1.043146507e-01 -3.566992769e-01 -5.149343290e-01 4.92 -9.728764338e-02 -3.391197250e-01 -4.910621194e-01 4.94 -9.065508699e-02 -3.220298997e-01 -4.676567278e-01 4.96 -8.440144487e-02 -3.054330632e-01 -4.447456433e-01 4.98 -7.851115234e-02 -2.893323702e-01 -4.223551245e-01 5.00 -7.296868812e-02 -2.737307810e-01 -4.005100055e-01 5.02 -6.775864276e-02 -2.586309685e-01 -3.792335114e-01 5.04 -6.286578298e-02 -2.440352221e-01 -3.585470864e-01 5.06 -5.827511095e-02 -2.299453510e-01 -3.384702394e-01 5.08 -5.397191814e-02 -2.163625896e-01 -3.190204052e-01 5.10 -4.994183295e-02 -2.032875078e-01 -3.002128269e-01 5.12 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-7.482866351e-02 5.48 -9.395066405e-03 -4.546698858e-02 -6.806171822e-02 5.50 -8.499644121e-03 -4.126521766e-02 -6.178573728e-02 5.52 -7.678526455e-03 -3.737896643e-02 -5.597815642e-02 5.54 -6.926573308e-03 -3.379243799e-02 -5.061612053e-02 5.56 -6.238926599e-03 -3.048983492e-02 -4.567663970e-02 5.58 -5.610259622e-03 -2.745544401e-02 -4.113673561e-02 5.60 -5.037894983e-03 -2.467371677e-02 -3.697357913e-02 5.62 -4.516786159e-03 -2.212934401e-02 -3.316461703e-02 5.64 -4.043090796e-03 -1.980732461e-02 -2.968768786e-02 5.66 -3.613189146e-03 -1.769302746e-02 -2.652112597e-02 5.68 -3.223675061e-03 -1.577224658e-02 -2.364385370e-02 5.70 -2.871347364e-03 -1.403124893e-02 -2.103546123e-02 5.72 -2.553201645e-03 -1.245681525e-02 -1.867627483e-02 5.74 -2.266422249e-03 -1.103627353e-02 -1.654741288e-02 5.76 -2.008374586e-03 -9.757525447e-03 -1.463083060e-02 5.78 -1.776597587e-03 -8.609066148e-03 -1.290935383e-02 5.80 -1.568796342e-03 -7.579997534e-03 -1.136670251e-02 5.82 -1.382834814e-03 -6.660035339e-03 -9.987504195e-03 5.84 -1.216728716e-03 -5.839510765e-03 -8.757298950e-03 5.86 -1.068638406e-03 -5.109366839e-03 -7.662535900e-03 5.88 -9.368618900e-04 -4.460982173e-03 -6.690562513e-03 5.90 -8.198279111e-04 -3.886874257e-03 -5.829607628e-03 5.92 -7.160890475e-04 -3.379172299e-03 -5.068758449e-03 5.94 -6.243149838e-04 -2.931955497e-03 -4.397933246e-03 5.96 -5.432858124e-04 -2.538566523e-03 -3.807849784e-03 5.98 -4.718854691e-04 -2.193327103e-03 -3.289990655e-03 6.00 -4.090953080e-04 -1.891044140e-03 -2.836566210e-03