# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Fischer-F-Schmitz-G-Eich-S-M--Cu-Ni # implementation = 2019--Fischer-F--Cu-Ni--LAMMPS--ipr1 # composition = Cu3Ni # 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 -1.019941482e+05 nan nan 0.90 -8.966863205e+04 nan nan 0.92 -7.840202243e+04 nan nan 0.94 -6.808136956e+04 nan nan 0.96 -5.860615645e+04 nan nan 0.98 -4.989233756e+04 -9.072480028e+04 -1.065648618e+05 1.00 -4.186496779e+04 -8.027373956e+04 -9.517556399e+04 1.02 -3.445518978e+04 -7.063300725e+04 -8.467400644e+04 1.04 -2.760495664e+04 -6.172549010e+04 -7.497296697e+04 1.06 -2.126659410e+04 -5.348477946e+04 -6.599343205e+04 1.08 -1.539604558e+04 -4.584958476e+04 -5.766677177e+04 1.10 -9.951100076e+03 -3.876317109e+04 -4.993472064e+04 1.12 -4.895679345e+03 -3.217372089e+04 -4.274645597e+04 1.14 -1.982816021e+02 -2.603637885e+04 -3.605629923e+04 1.16 1.224453797e+02 -2.031595900e+04 -2.982333021e+04 1.18 1.134040039e+02 -1.498380673e+04 -2.401143860e+04 1.20 1.053594468e+02 -1.001153822e+04 -1.858797404e+04 1.22 9.819164724e+01 -5.369380992e+03 -1.352184464e+04 1.24 9.179443647e+01 -1.029326369e+03 -8.783599386e+03 1.26 8.607827820e+01 1.275177101e+02 -4.346354203e+03 1.28 8.096601213e+01 1.193571185e+02 -1.857428037e+02 1.30 7.638845801e+01 1.120325333e+02 1.209079884e+02 1.32 7.228524414e+01 1.035727680e+02 1.129639866e+02 1.34 6.860489080e+01 9.593160356e+01 1.058202055e+02 1.36 6.212747734e+01 8.903111708e+01 9.938619036e+01 1.38 5.579330406e+01 8.279592919e+01 9.358032487e+01 1.40 5.005998776e+01 7.715812456e+01 8.832873241e+01 1.42 4.486900145e+01 7.205512184e+01 8.356857405e+01 1.44 4.016999108e+01 6.742987925e+01 7.924962171e+01 1.46 3.591643913e+01 6.323181018e+01 7.533028927e+01 1.48 3.206430836e+01 5.941779963e+01 7.177170541e+01 1.50 2.857338744e+01 5.595245486e+01 6.853622838e+01 1.52 2.540904409e+01 5.074670908e+01 6.249916917e+01 1.54 2.906134977e+01 4.587422762e+01 5.678067976e+01 1.56 2.575915519e+01 4.143283273e+01 5.154275615e+01 1.58 2.275919443e+01 3.738171419e+01 4.674313498e+01 1.60 2.003252843e+01 3.368341473e+01 4.234393480e+01 1.62 1.755256506e+01 3.030491070e+01 3.831091069e+01 1.64 1.529584016e+01 2.721714294e+01 3.461314481e+01 1.66 1.324263626e+01 2.439411542e+01 3.122275098e+01 1.68 1.137655030e+01 2.832819213e+01 2.811467251e+01 1.70 9.683475030e+00 2.531722949e+01 2.526660389e+01 1.72 8.150600507e+00 2.255787434e+01 2.926340541e+01 1.74 6.765690927e+00 2.003137050e+01 2.622882636e+01 1.76 5.516872380e+00 1.772004636e+01 2.344814201e+01 1.78 4.392783700e+00 1.560679582e+01 2.090078027e+01 1.80 3.382817112e+00 1.367537779e+01 1.856676841e+01 1.82 2.477203548e+00 1.191087017e+01 1.642725139e+01 1.84 1.666896531e+00 1.029995942e+01 1.446513960e+01 1.86 9.435178283e-01 8.830803192e+00 1.266545336e+01 1.88 2.994322532e-01 7.492391177e+00 1.101494358e+01 1.90 -2.721444501e-01 6.274234171e+00 9.501943634e+00 1.92 -7.771222533e-01 5.166446032e+00 8.116515225e+00 1.94 -1.220871779e+00 4.159890355e+00 6.850424740e+00 1.96 -1.608733591e+00 3.246317680e+00 5.696678528e+00 1.98 -1.946116107e+00 2.418447373e+00 4.648676196e+00 2.00 -2.238353621e+00 1.669870400e+00 3.699459658e+00 2.02 -2.490472607e+00 9.948535274e-01 2.841576910e+00 2.04 -2.707011373e+00 3.880736689e-01 2.067444677e+00 2.06 -2.892011770e+00 -1.556032058e-01 1.369796152e+00 2.08 -3.049132268e+00 -6.412023769e-01 7.419810913e-01 2.10 -3.181777077e+00 -1.073602424e+00 1.780989228e-01 2.12 -3.293105467e+00 -1.457550542e+00 -3.271530500e-01 2.14 -3.385985376e+00 -1.797572509e+00 -7.787008549e-01 2.16 -3.462909241e+00 -2.097803912e+00 -1.181110325e+00 2.18 -3.525897968e+00 -2.361982446e+00 -1.538724521e+00 2.20 -3.576551913e+00 -2.593438839e+00 -1.855713644e+00 2.22 -3.616143768e+00 -2.795117416e+00 -2.136032336e+00 2.24 -3.645659604e+00 -2.969728922e+00 -2.383358554e+00 2.26 -3.665867124e+00 -3.119858482e+00 -2.601018526e+00 2.28 -3.677387867e+00 -3.247978841e+00 -2.791889170e+00 2.30 -3.680723794e+00 -3.356432149e+00 -2.958389216e+00 2.32 -3.676412877e+00 -3.447411234e+00 -3.102607130e+00 2.34 -3.665059786e+00 -3.522917508e+00 -3.226472878e+00 2.36 -3.647284292e+00 -3.584704379e+00 -3.331910941e+00 2.38 -3.623709435e+00 -3.634241839e+00 -3.420890668e+00 2.40 -3.594960741e+00 -3.672799258e+00 -3.495368205e+00 2.42 -3.561631414e+00 -3.701515723e+00 -3.557173297e+00 2.44 -3.524276776e+00 -3.721429120e+00 -3.607893836e+00 2.46 -3.483433393e+00 -3.733489960e+00 -3.648833046e+00 2.48 -3.439610416e+00 -3.738549227e+00 -3.681053586e+00 2.50 -3.393284809e+00 -3.737340996e+00 -3.705425512e+00 2.52 -3.344900511e+00 -3.730515578e+00 -3.722686364e+00 2.54 -3.294856376e+00 -3.718628130e+00 -3.733450084e+00 2.56 -3.243495590e+00 -3.702148410e+00 -3.738187590e+00 2.58 -3.191102562e+00 -3.681471769e+00 -3.737221881e+00 2.60 -3.137908399e+00 -3.656963665e+00 -3.730841591e+00 2.62 -3.084097476e+00 -3.628973285e+00 -3.719335178e+00 2.64 -3.029812297e+00 -3.597824489e+00 -3.702993941e+00 2.66 -2.975182316e+00 -3.563791011e+00 -3.682118185e+00 2.68 -2.920335524e+00 -3.527075508e+00 -3.657040534e+00 2.70 -2.865381067e+00 -3.487815503e+00 -3.628122781e+00 2.72 -2.810389866e+00 -3.446122475e+00 -3.595742665e+00 2.74 -2.755382304e+00 -3.402137735e+00 -3.560283687e+00 2.76 -2.700328750e+00 -3.356070498e+00 -3.522127700e+00 2.78 -2.645164660e+00 -3.308199162e+00 -3.481651657e+00 2.80 -2.589817876e+00 -3.258851890e+00 -3.439236070e+00 2.82 -2.534229157e+00 -3.208366302e+00 -3.395265110e+00 2.84 -2.478359558e+00 -3.157044636e+00 -3.350116273e+00 2.86 -2.422189756e+00 -3.105119534e+00 -3.304144821e+00 2.88 -2.365717751e+00 -3.052742111e+00 -3.257662428e+00 2.90 -2.308959477e+00 -2.999998378e+00 -3.210910651e+00 2.92 -2.251951323e+00 -2.946943971e+00 -3.164032738e+00 2.94 -2.194748811e+00 -2.893626940e+00 -3.117051124e+00 2.96 -2.137420513e+00 -2.840090929e+00 -3.069868432e+00 2.98 -2.080046652e+00 -2.786377088e+00 -3.022312453e+00 3.00 -2.022722435e+00 -2.732525529e+00 -2.974185256e+00 3.02 -1.965550054e+00 -2.678576028e+00 -2.925311589e+00 3.04 -1.908628471e+00 -2.624567670e+00 -2.875579807e+00 3.06 -1.852047923e+00 -2.570537149e+00 -2.824959764e+00 3.08 -1.795887666e+00 -2.516515772e+00 -2.773497605e+00 3.10 -1.740221011e+00 -2.462525745e+00 -2.721295193e+00 3.12 -1.685118438e+00 -2.408577145e+00 -2.668484354e+00 3.14 -1.630647163e+00 -2.354667496e+00 -2.615203447e+00 3.16 -1.576870644e+00 -2.300785626e+00 -2.561579420e+00 3.18 -1.523848170e+00 -2.246919981e+00 -2.507715141e+00 3.20 -1.471634503e+00 -2.193066757e+00 -2.453682339e+00 3.22 -1.420279600e+00 -2.139234744e+00 -2.399535298e+00 3.24 -1.369828375e+00 -2.085450312e+00 -2.345327367e+00 3.26 -1.320320754e+00 -2.031758572e+00 -2.291112266e+00 3.28 -1.271792613e+00 -1.978220515e+00 -2.236943939e+00 3.30 -1.224276242e+00 -1.924907855e+00 -2.182876400e+00 3.32 -1.177800348e+00 -1.871897317e+00 -2.128963581e+00 3.34 -1.132390054e+00 -1.819265496e+00 -2.075259201e+00 3.36 -1.088066932e+00 -1.767084634e+00 -2.021816668e+00 3.38 -1.044849043e+00 -1.715419185e+00 -1.968689009e+00 3.40 -1.002750998e+00 -1.664324501e+00 -1.915928848e+00 3.42 -9.617840358e-01 -1.613850845e+00 -1.863588417e+00 3.44 -9.219561112e-01 -1.564045261e+00 -1.811719579e+00 3.46 -8.832719986e-01 -1.514951378e+00 -1.760373745e+00 3.48 -8.457334068e-01 -1.466609197e+00 -1.709601678e+00 3.50 -8.093391012e-01 -1.419054924e+00 -1.659453190e+00 3.52 -7.740850377e-01 -1.372320843e+00 -1.609976597e+00 3.54 -7.399645027e-01 -1.326435279e+00 -1.561217843e+00 3.56 -7.069682595e-01 -1.281423157e+00 -1.513219226e+00 3.58 -6.750847010e-01 -1.237306606e+00 -1.466017833e+00 3.60 -6.443000053e-01 -1.194105035e+00 -1.419643927e+00 3.62 -6.145982970e-01 -1.151835168e+00 -1.374119731e+00 3.64 -5.859618107e-01 -1.110511093e+00 -1.329459202e+00 3.66 -5.583710562e-01 -1.070144319e+00 -1.285669594e+00 3.68 -5.318049895e-01 -1.030743845e+00 -1.242753712e+00 3.70 -5.062411821e-01 -9.923162383e-01 -1.200711313e+00 3.72 -4.816559989e-01 -9.548657228e-01 -1.159541110e+00 3.74 -4.580247745e-01 -9.183942690e-01 -1.119242985e+00 3.76 -4.353220017e-01 -8.829016957e-01 -1.079819297e+00 3.78 -4.135215190e-01 -8.483857737e-01 -1.041275161e+00 3.80 -3.925967179e-01 -8.148423355e-01 -1.003617941e+00 3.82 -3.725207567e-01 -7.822653881e-01 -9.668562537e-01 3.84 -3.532667845e-01 -7.506472297e-01 -9.309988116e-01 3.86 -3.348082099e-01 -7.199785688e-01 -8.960532910e-01 3.88 -3.171189576e-01 -6.902486450e-01 -8.620253409e-01 3.90 -3.001737732e-01 -6.614453540e-01 -8.289177462e-01 3.92 -2.839485665e-01 -6.335553724e-01 -7.967300091e-01 3.94 -2.684207361e-01 -6.065642861e-01 -7.654592622e-01 3.96 -2.535695274e-01 -5.804567218e-01 -7.351009236e-01 3.98 -2.393763998e-01 -5.552164790e-01 -7.056487992e-01 4.00 -2.258253008e-01 -5.308266701e-01 -6.770951656e-01 4.02 -2.129028176e-01 -5.072698603e-01 -6.494308573e-01 4.04 -2.005981830e-01 -4.845282198e-01 -6.226453533e-01 4.06 -1.889030129e-01 -4.625836756e-01 -5.967268659e-01 4.08 -1.778106118e-01 -4.414180815e-01 -5.716624309e-01 4.10 -1.673148056e-01 -4.210133904e-01 -5.474379954e-01 4.12 -1.574083579e-01 -4.013518402e-01 -5.240385087e-01 4.14 -1.480812541e-01 -3.824161550e-01 -5.014480092e-01 4.16 -1.393186717e-01 -3.641897425e-01 -4.796497137e-01 4.18 -1.310995316e-01 -3.466569066e-01 -4.586261011e-01 4.20 -1.233965268e-01 -3.298030476e-01 -4.383589995e-01 4.22 -1.161735466e-01 -3.136148233e-01 -4.188296666e-01 4.24 -1.093876719e-01 -2.980802889e-01 -4.000188693e-01 4.26 -1.029932516e-01 -2.831889373e-01 -3.819069669e-01 4.28 -9.694486514e-02 -2.689315928e-01 -3.644739780e-01 4.30 -9.119980217e-02 -2.553001601e-01 -3.476996597e-01 4.32 -8.571937265e-02 -2.422871635e-01 -3.315635790e-01 4.34 -8.047438607e-02 -2.298849939e-01 -3.160451690e-01 4.36 -7.544697175e-02 -2.180849258e-01 -3.011238020e-01 4.38 -7.060007439e-02 -2.068760025e-01 -2.867788575e-01 4.40 -6.588433956e-02 -1.962438821e-01 -2.729897660e-01 4.42 -6.133445889e-02 -1.861698086e-01 -2.597360629e-01 4.44 -5.709609766e-02 -1.766299141e-01 -2.469974575e-01 4.46 -5.321068294e-02 -1.675951978e-01 -2.347538902e-01 4.48 -4.945725400e-02 -1.590323164e-01 -2.229855547e-01 4.50 -4.564216745e-02 -1.509046731e-01 -2.116729389e-01 4.52 -4.175793349e-02 -1.431749553e-01 -2.007969002e-01 4.54 -3.790413681e-02 -1.358063495e-01 -1.903387198e-01 4.56 -3.416729830e-02 -1.287630398e-01 -1.802801426e-01 4.58 -3.060393017e-02 -1.220126816e-01 -1.706033569e-01 4.60 -2.720924102e-02 -1.155279446e-01 -1.612911020e-01 4.62 -2.411474352e-02 -1.092860399e-01 -1.523266616e-01 4.64 -2.139218550e-02 -1.032687112e-01 -1.436940596e-01 4.66 -1.904965237e-02 -9.746153176e-02 -1.353780291e-01 4.68 -1.705621772e-02 -9.185382911e-02 -1.273641004e-01 4.70 -1.536173715e-02 -8.643623240e-02 -1.196394910e-01 4.72 -1.391073865e-02 -8.120165091e-02 -1.121916549e-01 4.74 -1.265085749e-02 -7.614525896e-02 -1.050077242e-01 4.76 -1.153708058e-02 -7.126503958e-02 -9.807600785e-02 4.78 -1.053321790e-02 -6.654761256e-02 -9.138680594e-02 4.80 -9.611770885e-03 -6.197732332e-02 -8.493181535e-02 4.82 -8.752934976e-03 -5.753171683e-02 -7.870417516e-02 4.84 -7.943347056e-03 -5.322168812e-02 -7.269935464e-02 4.86 -7.174912837e-03 -4.909835929e-02 -6.691833743e-02 4.88 -6.443442922e-03 -4.520639063e-02 -6.136110441e-02 4.90 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