# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Mg3Pd # 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 2024-04-11 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 4.000927487e+02 nan nan 1.16 3.677887122e+02 nan nan 1.18 3.381688705e+02 nan nan 1.20 3.109913769e+02 nan nan 1.22 2.860388635e+02 nan nan 1.24 2.631153639e+02 nan nan 1.26 2.420440468e+02 nan nan 1.28 2.226653738e+02 3.460015980e+02 3.971699584e+02 1.30 2.048348383e+02 3.202937403e+02 3.683534099e+02 1.32 1.884208683e+02 2.965313399e+02 3.416836073e+02 1.34 1.733037148e+02 2.745585682e+02 3.169861955e+02 1.36 1.593749437e+02 2.542328375e+02 2.941022975e+02 1.38 1.465365481e+02 2.354224570e+02 2.728882997e+02 1.40 1.346995526e+02 2.180055420e+02 2.532145861e+02 1.42 1.237826367e+02 2.018700380e+02 2.349631973e+02 1.44 1.137120941e+02 1.869141113e+02 2.180256618e+02 1.46 1.044369504e+02 1.730459652e+02 2.023018396e+02 1.48 9.589846956e+01 1.601827724e+02 1.876995888e+02 1.50 8.803657892e+01 1.482491863e+02 1.741345894e+02 1.52 8.079654786e+01 1.371760067e+02 1.615298312e+02 1.54 7.412823927e+01 1.268992206e+02 1.498146957e+02 1.56 6.798565869e+01 1.173593873e+02 1.389239372e+02 1.58 6.232661299e+01 1.085068588e+02 1.287968925e+02 1.60 5.711245965e+01 1.003038492e+02 1.193770957e+02 1.62 5.230791538e+01 9.270104692e+01 1.106144772e+02 1.64 4.788085352e+01 8.565307670e+01 1.024752016e+02 1.66 4.380202145e+01 7.911860444e+01 9.491552714e+01 1.68 4.004466169e+01 7.305992753e+01 8.789342761e+01 1.70 3.658410465e+01 6.744247453e+01 8.137054952e+01 1.72 3.339740968e+01 6.223432690e+01 7.531154317e+01 1.74 3.046312250e+01 5.740586998e+01 6.968355494e+01 1.76 2.776115985e+01 5.292958619e+01 6.445585163e+01 1.78 2.527280752e+01 4.877993125e+01 5.959957723e+01 1.80 2.298079228e+01 4.493319744e+01 5.508765213e+01 1.82 2.086935291e+01 4.136733433e+01 5.089478711e+01 1.84 1.892423415e+01 3.806175261e+01 4.699758453e+01 1.86 1.713257281e+01 3.499720260e+01 4.337461668e+01 1.88 1.548271314e+01 3.215573833e+01 4.000638862e+01 1.90 1.396401738e+01 2.952074750e+01 3.687515716e+01 1.92 1.256671414e+01 2.707697635e+01 3.396466056e+01 1.94 1.128178767e+01 2.481050535e+01 3.125986829e+01 1.96 1.010089175e+01 2.270865826e+01 2.874678841e+01 1.98 9.016278599e+00 2.075986616e+01 2.641234380e+01 2.00 8.020734516e+00 1.895350967e+01 2.424429883e+01 2.02 7.107514319e+00 1.727976486e+01 2.223121387e+01 2.04 6.270286796e+00 1.572947694e+01 2.036241184e+01 2.06 5.503091859e+00 1.429407008e+01 1.862793379e+01 2.08 4.800328304e+00 1.296549018e+01 1.701848100e+01 2.10 4.156772220e+00 1.173617581e+01 1.552534477e+01 2.12 3.567611846e+00 1.059904773e+01 1.414035286e+01 2.14 3.028473891e+00 9.547505713e+00 1.285584639e+01 2.16 2.535417074e+00 8.575424100e+00 1.166468594e+01 2.18 2.084895298e+00 7.677133485e+00 1.056026730e+01 2.20 1.673693887e+00 6.847392489e+00 9.536517030e+00 2.22 1.298866462e+00 6.081349701e+00 8.587868914e+00 2.24 9.576830291e-01 5.374510709e+00 7.709207077e+00 2.26 6.475961350e-01 4.722712807e+00 6.895806664e+00 2.28 3.660175243e-01 4.122102684e+00 6.143275737e+00 2.30 1.104623614e-01 3.569118861e+00 5.447511819e+00 2.32 -1.209165235e-01 3.060459647e+00 4.804662232e+00 2.34 -3.298728680e-01 2.593055857e+00 4.211094055e+00 2.36 -5.180754803e-01 2.164034156e+00 3.663370786e+00 2.38 -6.871029454e-01 1.770688317e+00 3.158236816e+00 2.40 -8.384389827e-01 1.410456221e+00 2.692618587e+00 2.42 -9.734762942e-01 1.080902589e+00 2.263632566e+00 2.44 -1.093556274e+00 7.797099035e-01 1.868600117e+00 2.46 -1.199921629e+00 5.046726426e-01 1.505056560e+00 2.48 -1.293696978e+00 2.535819466e-01 1.170748560e+00 2.50 -1.375900791e+00 2.418839014e-02 8.636172240e-01 2.52 -1.447459644e+00 -1.851642814e-01 5.817783462e-01 2.54 -1.509222818e+00 -3.759850124e-01 3.234745325e-01 2.56 -1.561978629e+00 -5.496537705e-01 8.678508862e-02 2.58 -1.606464401e+00 -7.074155910e-01 -1.297285310e-01 2.60 -1.643379853e+00 -8.503878833e-01 -3.272910819e-01 2.62 -1.673393629e+00 -9.795770871e-01 -5.070718114e-01 2.64 -1.697148777e+00 -1.095910655e+00 -6.701894723e-01 2.66 -1.715262413e+00 -1.200283290e+00 -8.177141546e-01 2.68 -1.728324391e+00 -1.293537165e+00 -9.506776529e-01 2.70 -1.736893509e+00 -1.376457999e+00 -1.070081436e+00 2.72 -1.741493826e+00 -1.449782911e+00 -1.176921035e+00 2.74 -1.742611625e+00 -1.514204976e+00 -1.272199634e+00 2.76 -1.740692859e+00 -1.570376103e+00 -1.356887958e+00 2.78 -1.736140417e+00 -1.618909212e+00 -1.431912456e+00 2.80 -1.729312298e+00 -1.660382860e+00 -1.498144436e+00 2.82 -1.720518603e+00 -1.695343102e+00 -1.556387860e+00 2.84 -1.710026137e+00 -1.724310440e+00 -1.607371142e+00 2.86 -1.698113703e+00 -1.747784709e+00 -1.651743573e+00 2.88 -1.684925247e+00 -1.766249371e+00 -1.690077524e+00 2.90 -1.670548875e+00 -1.780173433e+00 -1.722875450e+00 2.92 -1.655065075e+00 -1.790010102e+00 -1.750579943e+00 2.94 -1.638551467e+00 -1.796192155e+00 -1.773584820e+00 2.96 -1.621083626e+00 -1.799125075e+00 -1.792244563e+00 2.98 -1.602738391e+00 -1.799179830e+00 -1.806887048e+00 3.00 -1.583589023e+00 -1.796687400e+00 -1.817813258e+00 3.02 -1.563640182e+00 -1.791936524e+00 -1.825306421e+00 3.04 -1.542860137e+00 -1.785174656e+00 -1.829633426e+00 3.06 -1.521242713e+00 -1.776614394e+00 -1.831046499e+00 3.08 -1.498803421e+00 -1.766436511e+00 -1.829784262e+00 3.10 -1.475574884e+00 -1.754815206e+00 -1.826072425e+00 3.12 -1.451602923e+00 -1.741921099e+00 -1.820124243e+00 3.14 -1.426943159e+00 -1.727853143e+00 -1.812140750e+00 3.16 -1.401657980e+00 -1.712681939e+00 -1.802310805e+00 3.18 -1.375813797e+00 -1.696482652e+00 -1.790815101e+00 3.20 -1.349478628e+00 -1.679334155e+00 -1.777867896e+00 3.22 -1.322720119e+00 -1.661318546e+00 -1.763593095e+00 3.24 -1.295604174e+00 -1.642520627e+00 -1.748086626e+00 3.26 -1.268194291e+00 -1.623022437e+00 -1.731445244e+00 3.28 -1.240551596e+00 -1.602876381e+00 -1.713766603e+00 3.30 -1.212735423e+00 -1.582089674e+00 -1.695149792e+00 3.32 -1.184804160e+00 -1.560667991e+00 -1.675695728e+00 3.34 -1.156815801e+00 -1.538632942e+00 -1.655507037e+00 3.36 -1.128829320e+00 -1.516017011e+00 -1.634679790e+00 3.38 -1.100902951e+00 -1.492859369e+00 -1.613251912e+00 3.40 -1.073094466e+00 -1.469202614e+00 -1.591240872e+00 3.42 -1.045459333e+00 -1.445091248e+00 -1.568675862e+00 3.44 -1.018050460e+00 -1.420569834e+00 -1.545592890e+00 3.46 -9.909151204e-01 -1.395683116e+00 -1.522030939e+00 3.48 -9.640955241e-01 -1.370475744e+00 -1.498029414e+00 3.50 -9.376279204e-01 -1.344992205e+00 -1.473626293e+00 3.52 -9.115439414e-01 -1.319276672e+00 -1.448860701e+00 3.54 -8.858691050e-01 -1.293372736e+00 -1.423769342e+00 3.56 -8.606246267e-01 -1.267323047e+00 -1.398390632e+00 3.58 -8.358275212e-01 -1.241168896e+00 -1.372764970e+00 3.60 -8.114910344e-01 -1.214949822e+00 -1.346935518e+00 3.62 -7.876250486e-01 -1.188703246e+00 -1.320948391e+00 3.64 -7.642364663e-01 -1.162464211e+00 -1.294852139e+00 3.66 -7.413295629e-01 -1.136265215e+00 -1.268696542e+00 3.68 -7.189062964e-01 -1.110136180e+00 -1.242530900e+00 3.70 -6.969665595e-01 -1.084104547e+00 -1.216402138e+00 3.72 -6.755083728e-01 -1.058195509e+00 -1.190353118e+00 3.74 -6.545280248e-01 -1.032432351e+00 -1.164421467e+00 3.76 -6.340201713e-01 -1.006836889e+00 -1.138639123e+00 3.78 -6.139779080e-01 -9.814299326e-01 -1.113032571e+00 3.80 -5.943928315e-01 -9.562317214e-01 -1.087623612e+00 3.82 -5.752550958e-01 -9.312622458e-01 -1.062430433e+00 3.84 -5.565534731e-01 -9.065413827e-01 -1.037468715e+00 3.86 -5.382754230e-01 -8.820887991e-01 -1.012752615e+00 3.88 -5.204071709e-01 -8.579236315e-01 -9.882955027e-01 3.90 -5.029338034e-01 -8.340640119e-01 -9.641104263e-01 3.92 -4.858391321e-01 -8.105262901e-01 -9.402099435e-01 3.94 -4.691068979e-01 -7.873258290e-01 -9.166077745e-01 3.96 -4.527192907e-01 -7.644750493e-01 -8.933160947e-01 3.98 -4.366583919e-01 -7.419849655e-01 -8.703471620e-01 4.00 -4.209062016e-01 -7.198653905e-01 -8.477125948e-01 4.02 -4.054450896e-01 -6.981257186e-01 -8.254231405e-01 4.04 -3.902583697e-01 -6.767757832e-01 -8.034884683e-01 4.06 -3.753310064e-01 -6.558266136e-01 -7.819170005e-01 4.08 -3.606504486e-01 -6.352909278e-01 -7.607157847e-01 4.10 -3.462075611e-01 -6.151823891e-01 -7.398904093e-01 4.12 -3.319976030e-01 -5.955188699e-01 -7.194449565e-01 4.14 -3.180211698e-01 -5.763160417e-01 -6.993819877e-01 4.16 -3.042849865e-01 -5.575903164e-01 -6.797025567e-01 4.18 -2.908024209e-01 -5.393565430e-01 -6.604062455e-01 4.20 -2.775929176e-01 -5.216267755e-01 -6.414912191e-01 4.22 -2.646843437e-01 -5.044092145e-01 -6.229542963e-01 4.24 -2.521075541e-01 -4.877074579e-01 -6.047910363e-01 4.26 -2.398978593e-01 -4.715201343e-01 -5.869958393e-01 4.28 -2.280920736e-01 -4.558409244e-01 -5.695620616e-01 4.30 -2.167260879e-01 -4.406589212e-01 -5.524821436e-01 4.32 -2.058323991e-01 -4.259592380e-01 -5.357477489e-01 4.34 -1.954378743e-01 -4.117237637e-01 -5.193499106e-01 4.36 -1.855618772e-01 -3.979319659e-01 -5.032791778e-01 4.38 -1.762157118e-01 -3.845616682e-01 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-1.937761532e-01 -2.483313260e-01 4.76 -7.516473158e-02 -1.853542518e-01 -2.373900789e-01 4.78 -7.222158464e-02 -1.771923206e-01 -2.267754683e-01 4.80 -6.939649312e-02 -1.693045963e-01 -2.165115648e-01 4.82 -6.668022796e-02 -1.617061704e-01 -2.066209613e-01 4.84 -6.406447575e-02 -1.544082241e-01 -1.971234178e-01 4.86 -6.154173803e-02 -1.474199257e-01 -1.880347055e-01 4.88 -5.910525956e-02 -1.407471451e-01 -1.793657525e-01 4.90 -5.674897554e-02 -1.343921268e-01 -1.711221500e-01 4.92 -5.446747665e-02 -1.283534188e-01 -1.633040347e-01 4.94 -5.225599204e-02 -1.226260367e-01 -1.559063182e-01 4.96 -5.011038810e-02 -1.172018187e-01 -1.489191996e-01 4.98 -4.802717908e-02 -1.120699163e-01 -1.423288807e-01 5.00 -4.600354482e-02 -1.072173591e-01 -1.361183945e-01 5.02 -4.403734897e-02 -1.026296415e-01 -1.302684662e-01 5.04 -4.212715000e-02 -9.829128363e-02 -1.247583392e-01 5.06 -4.027219502e-02 -9.418633680e-02 -1.195665198e-01 5.08 -3.847238896e-02 -9.029881402e-02 -1.146714092e-01 5.10 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-5.856237450e-02 5.46 -1.541233596e-02 -4.198827549e-02 -5.654595489e-02 5.48 -1.470158224e-02 -4.030336721e-02 -5.460293879e-02 5.50 -1.402223773e-02 -3.868332585e-02 -5.272961123e-02 5.52 -1.337199808e-02 -3.712742175e-02 -5.092252269e-02 5.54 -1.274890430e-02 -3.563483192e-02 -4.917814333e-02 5.56 -1.215134023e-02 -3.420454095e-02 -4.749413094e-02 5.58 -1.157801552e-02 -3.283527895e-02 -4.586727836e-02 5.60 -1.102793550e-02 -3.152548671e-02 -4.429490196e-02 5.62 -1.050036006e-02 -3.027330755e-02 -4.277445213e-02 5.64 -9.994753637e-03 -2.907660323e-02 -4.130349553e-02 5.66 -9.510729452e-03 -2.793298897e-02 -3.987969966e-02 5.68 -9.047991233e-03 -2.683988139e-02 -3.850081930e-02 5.70 -8.606276377e-03 -2.579455338e-02 -3.716468475e-02 5.72 -8.185304197e-03 -2.479419013e-02 -3.586919154e-02 5.74 -7.784732598e-03 -2.383594114e-02 -3.461229090e-02 5.76 -7.404125620e-03 -2.291689933e-02 -3.339179240e-02 5.78 -7.042933157e-03 -2.203423952e-02 -3.220563384e-02 5.80 -6.700482922e-03 -2.118527328e-02 -3.105195581e-02 5.82 -6.375983583e-03 -2.036741621e-02 -2.992892567e-02 5.84 -6.068537128e-03 -1.957819893e-02 -2.883473698e-02 5.86 -5.777157982e-03 -1.881527661e-02 -2.776761065e-02 5.88 -5.500796276e-03 -1.807643410e-02 -2.672579789e-02 5.90 -5.238362858e-03 -1.735958830e-02 -2.570758525e-02 5.92 -4.988754028e-03 -1.666278889e-02 -2.471130213e-02 5.94 -4.750874555e-03 -1.598421892e-02 -2.373533083e-02 5.96 -4.523658048e-03 -1.532219590e-02 -2.277811805e-02 5.98 -4.306084267e-03 -1.467517449e-02 -2.183818162e-02 6.00 -4.097193356e-03 -1.404175115e-02 -2.091415324e-02