# 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 = InN3 # 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 4.909093611e+03 nan nan 1.16 4.322323620e+03 nan nan 1.18 3.812326168e+03 nan nan 1.20 3.373289537e+03 nan nan 1.22 2.994362050e+03 nan nan 1.24 2.662964432e+03 5.167607545e+03 nan 1.26 2.371247715e+03 4.593414081e+03 nan 1.28 2.114078355e+03 4.087303405e+03 4.826559480e+03 1.30 1.887118234e+03 3.646520788e+03 4.320777682e+03 1.32 1.686225829e+03 3.262195445e+03 3.869552819e+03 1.34 1.507249248e+03 2.922815032e+03 3.469487279e+03 1.36 1.346729858e+03 2.620157438e+03 3.114644766e+03 1.38 1.203357452e+03 2.349146539e+03 2.797781898e+03 1.40 1.076456370e+03 2.107236151e+03 2.512571677e+03 1.42 9.635862867e+02 1.892912169e+03 2.253796707e+03 1.44 8.626068855e+02 1.703328950e+03 2.019698490e+03 1.46 7.730835702e+02 1.534973442e+03 1.811564475e+03 1.48 6.942256093e+02 1.385019490e+03 1.628317289e+03 1.50 6.243227558e+02 1.251270396e+03 1.465897402e+03 1.52 5.618980214e+02 1.131844727e+03 1.320726127e+03 1.54 5.059613323e+02 1.025059740e+03 1.190468172e+03 1.56 4.556641752e+02 9.293240252e+02 1.073121991e+03 1.58 4.101852314e+02 8.431076746e+02 9.667245542e+02 1.60 3.690011111e+02 7.652171848e+02 8.701574292e+02 1.62 3.320669763e+02 6.949006167e+02 7.836875861e+02 1.64 2.993123044e+02 6.312200710e+02 7.075542733e+02 1.66 2.701069527e+02 5.729538921e+02 6.406474835e+02 1.68 2.434712714e+02 5.197269726e+02 5.812623071e+02 1.70 2.187184562e+02 4.721330451e+02 5.281043882e+02 1.72 1.959689563e+02 4.302485837e+02 4.803292259e+02 1.74 1.758374303e+02 3.931152556e+02 4.372954913e+02 1.76 1.584910663e+02 3.596348233e+02 3.984502363e+02 1.78 1.434250029e+02 3.291307260e+02 3.632539766e+02 1.80 1.300326268e+02 3.012325949e+02 3.310694457e+02 1.82 1.179513866e+02 2.756832683e+02 3.011852843e+02 1.84 1.069955904e+02 2.522657592e+02 2.732172436e+02 1.86 9.703952028e+01 2.307825732e+02 2.475086063e+02 1.88 8.797671250e+01 2.110342823e+02 2.247261183e+02 1.90 7.971461682e+01 1.927818608e+02 2.049948302e+02 1.92 7.217336065e+01 1.757319327e+02 1.877557347e+02 1.94 6.528306685e+01 1.596412116e+02 1.723257649e+02 1.96 5.898120845e+01 1.445193279e+02 1.582699795e+02 1.98 5.321115780e+01 1.306527047e+02 1.453712308e+02 2.00 4.792273668e+01 1.183011097e+02 1.335049454e+02 2.02 4.307347096e+01 1.074176780e+02 1.225765500e+02 2.04 3.862953998e+01 9.772123632e+01 1.125040815e+02 2.06 3.456447400e+01 8.893165941e+01 1.032147344e+02 2.08 3.085549564e+01 8.087538385e+01 9.464317610e+01 2.10 2.747943869e+01 7.345809256e+01 8.673056247e+01 2.12 2.441069116e+01 6.661953401e+01 7.942357167e+01 2.14 2.162200284e+01 6.031405328e+01 7.267309133e+01 2.16 1.908684636e+01 5.450653301e+01 6.643151634e+01 2.18 1.678141303e+01 4.917008470e+01 6.064748574e+01 2.20 1.468529027e+01 4.428210684e+01 5.526027098e+01 2.22 1.278106864e+01 3.981907302e+01 5.020382755e+01 2.24 1.105357510e+01 3.575324437e+01 4.543087968e+01 2.26 9.489214142e+00 3.205280444e+01 4.094430569e+01 2.28 8.075539891e+00 2.868453722e+01 3.679698599e+01 2.30 6.801046697e+00 2.561697162e+01 3.304435436e+01 2.32 5.654979314e+00 2.282218055e+01 2.969289520e+01 2.34 4.627279623e+00 2.027605073e+01 2.669539325e+01 2.36 3.708509350e+00 1.795765804e+01 2.398580359e+01 2.38 2.889801768e+00 1.584834889e+01 2.151080512e+01 2.40 2.162811401e+00 1.393124735e+01 1.923678042e+01 2.42 1.519703093e+00 1.219079382e+01 1.714334539e+01 2.44 9.531000589e-01 1.061258126e+01 1.521616602e+01 2.46 4.560222159e-01 9.183253001e+00 1.344371446e+01 2.48 2.171674563e-02 7.890431313e+00 1.181625685e+01 2.50 -3.566659621e-01 6.722660916e+00 1.032560438e+01 2.52 -6.865329401e-01 5.669354132e+00 8.964604328e+00 2.54 -9.757910413e-01 4.720738112e+00 7.726461063e+00 2.56 -1.231766889e+00 3.867802146e+00 6.604091542e+00 2.58 -1.458852087e+00 3.102241898e+00 5.589794680e+00 2.60 -1.656595589e+00 2.416389336e+00 4.675357005e+00 2.62 -1.820628684e+00 1.803098952e+00 3.852338459e+00 2.64 -1.946695780e+00 1.255541652e+00 3.112662840e+00 2.66 -2.034766199e+00 7.668854798e-01 2.448821202e+00 2.68 -2.089897762e+00 3.299835293e-01 1.853998468e+00 2.70 -2.119727621e+00 -6.250338179e-02 1.322066468e+00 2.72 -2.131340732e+00 -4.171344668e-01 8.474574785e-01 2.74 -2.129702859e+00 -7.379594472e-01 4.250670885e-01 2.76 -2.117783396e+00 -1.025243997e+00 5.017897772e-02 2.78 -2.097332203e+00 -1.276167353e+00 -2.815800627e-01 2.80 -2.069527105e+00 -1.487668967e+00 -5.742647616e-01 2.82 -2.035308624e+00 -1.659472730e+00 -8.316254807e-01 2.84 -1.995506385e+00 -1.795174658e+00 -1.057119219e+00 2.86 -1.950879370e+00 -1.900872485e+00 -1.253919047e+00 2.88 -1.902142432e+00 -1.982893601e+00 -1.424925417e+00 2.90 -1.849948035e+00 -2.046272877e+00 -1.572778188e+00 2.92 -1.794910246e+00 -2.094451673e+00 -1.699869860e+00 2.94 -1.737602069e+00 -2.129692616e+00 -1.808359866e+00 2.96 -1.678557818e+00 -2.153592692e+00 -1.900189817e+00 2.98 -1.618274731e+00 -2.167419714e+00 -1.977099894e+00 3.00 -1.557214022e+00 -2.172270003e+00 -2.040647419e+00 3.02 -1.495801517e+00 -2.169131919e+00 -2.092229390e+00 3.04 -1.434428005e+00 -2.158915214e+00 -2.133111181e+00 3.06 -1.373449410e+00 -2.142468381e+00 -2.164460092e+00 3.08 -1.313186767e+00 -2.120592567e+00 -2.187369053e+00 3.10 -1.253925899e+00 -2.094041328e+00 -2.202876459e+00 3.12 -1.195916898e+00 -2.063497168e+00 -2.211884338e+00 3.14 -1.139373717e+00 -2.029526639e+00 -2.215085395e+00 3.16 -1.084474501e+00 -1.992538213e+00 -2.212864019e+00 3.18 -1.031363134e+00 -1.952780802e+00 -2.205292227e+00 3.20 -9.801518767e-01 -1.910404735e+00 -2.192262028e+00 3.22 -9.309242618e-01 -1.865563777e+00 -2.173708413e+00 3.24 -8.837373817e-01 -1.818501836e+00 -2.149800023e+00 3.26 -8.386232734e-01 -1.769571995e+00 -2.120990504e+00 3.28 -7.955899791e-01 -1.719208953e+00 -2.087922228e+00 3.30 -7.546229460e-01 -1.667828582e+00 -2.051266376e+00 3.32 -7.156871925e-01 -1.615792119e+00 -2.011597628e+00 3.34 -6.787301089e-01 -1.563380287e+00 -1.969348323e+00 3.36 -6.436845404e-01 -1.510802819e+00 -1.924827018e+00 3.38 -6.104718250e-01 -1.458219507e+00 -1.878262364e+00 3.40 -5.790046447e-01 -1.405759304e+00 -1.829842781e+00 3.42 -5.491894730e-01 -1.353532730e+00 -1.779741085e+00 3.44 -5.209297253e-01 -1.301638499e+00 -1.728128221e+00 3.46 -4.941266928e-01 -1.250166738e+00 -1.675175516e+00 3.48 -4.686824253e-01 -1.199200623e+00 -1.621057778e+00 3.50 -4.445011727e-01 -1.148817461e+00 -1.565952801e+00 3.52 -4.214908470e-01 -1.099089444e+00 -1.510040743e+00 3.54 -3.995642211e-01 -1.050084323e+00 -1.453503409e+00 3.56 -3.786398715e-01 -1.001865945e+00 -1.396523374e+00 3.58 -3.586428704e-01 -9.544947193e-01 -1.339283029e+00 3.60 -3.395052374e-01 -9.080279526e-01 -1.281963550e+00 3.62 -3.211661673e-01 -8.625200952e-01 -1.224743826e+00 3.64 -3.035720622e-01 -8.180229005e-01 -1.167799364e+00 3.66 -2.866763777e-01 -7.745854726e-01 -1.111301162e+00 3.68 -2.704393280e-01 -7.322542577e-01 -1.055414625e+00 3.70 -2.548274533e-01 -6.910729344e-01 -1.000298468e+00 3.72 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-2.607781052e-01 4.08 -5.870010564e-02 -1.578975547e-01 -2.366102598e-01 4.10 -5.314213928e-02 -1.428467738e-01 -2.141431006e-01 4.12 -4.798981481e-02 -1.289121340e-01 -1.933191973e-01 4.14 -4.322731393e-02 -1.160472515e-01 -1.740759706e-01 4.16 -3.883797648e-02 -1.042037858e-01 -1.563465906e-01 4.18 -3.480445668e-02 -9.333189553e-02 -1.400608619e-01 4.20 -3.110888478e-02 -8.338040857e-02 -1.251460759e-01 4.22 -2.773303096e-02 -7.429846498e-02 -1.115278276e-01 4.24 -2.465846640e-02 -6.603397357e-02 -9.913078311e-02 4.26 -2.186671914e-02 -5.853545040e-02 -8.787939519e-02 4.28 -1.933942133e-02 -5.175198490e-02 -7.769855888e-02 4.30 -1.705844541e-02 -4.563357770e-02 -6.851420277e-02 4.32 -1.500602824e-02 -4.013144473e-02 -6.025381582e-02 4.34 -1.316488104e-02 -3.519828334e-02 -5.284690516e-02 4.36 -1.151624236e-02 -3.078850169e-02 -4.622538811e-02 4.38 -1.004871932e-02 -2.685840897e-02 -4.032391635e-02 4.40 -8.744163965e-03 -2.336636900e-02 -3.508013738e-02 4.42 -7.588039169e-03 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