# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Zhou-X-W-Ward-D-K-Foster-M-E--C-Cu # implementation = 2015--Zhou-X-W--C-Cu--LAMMPS--ipr1 # composition = Cu # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 2.00 2.635649912e+01 -7.656535363e-01 1.696024173e+01 2.637543984e+01 2.639420442e+01 7.430389923e+00 5.263221514e+00 1.871768849e+01 2.336396935e+00 8.617044141e+00 2.02 2.223245341e+01 -2.016157027e+00 1.379016861e+01 2.225085868e+01 2.226910723e+01 6.076935600e+00 3.706199807e+00 1.530474330e+01 1.528109521e+00 6.677839216e+00 2.04 1.825461490e+01 -3.100702822e+00 1.077555523e+01 1.827218118e+01 1.828961052e+01 4.769337563e+00 2.310505876e+00 1.217501346e+01 7.636492111e-01 4.814089972e+00 2.06 1.498315553e+01 -3.999318992e+00 8.270413665e+00 1.499965336e+01 1.501603259e+01 3.688174301e+00 1.220624579e+00 9.491549946e+00 1.568340536e-01 3.334698406e+00 2.08 1.189800223e+01 -4.793812474e+00 5.895164137e+00 1.191328183e+01 1.192845887e+01 2.646950394e+00 1.986615559e-01 7.068593335e+00 -4.489093440e-01 2.040449363e+00 2.10 9.413068609e+00 -5.441123358e+00 3.930266768e+00 9.427059709e+00 9.440961726e+00 1.788931083e+00 -6.073781214e-01 5.017372751e+00 -9.569634415e-01 1.116524545e+00 2.12 7.063551667e+00 -6.006295256e+00 2.074156245e+00 7.076256212e+00 7.088882829e+00 9.661129457e-01 -1.389247173e+00 3.158479076e+00 -1.483182913e+00 3.014708769e-01 2.14 5.166697995e+00 -6.455391487e+00 5.474313663e-01 5.178175404e+00 5.189584079e+00 2.913113152e-01 -2.060934530e+00 1.646100321e+00 3.539622690e+04 -2.759487089e-01 2.16 3.352506992e+00 -6.839645392e+00 -8.880468525e-01 3.362848994e+00 3.373129978e+00 -3.523015336e-01 -2.731048782e+00 2.070503271e-01 -2.386001472e+00 -8.285968431e-01 2.18 1.868774414e+00 -7.132622686e+00 -2.060276630e+00 1.878067612e+00 1.887306434e+00 -8.767635030e-01 -3.321920696e+00 -1.017036037e+00 -2.735943686e+00 -1.256117071e+00 2.20 4.281167243e-01 -7.374532745e+00 -3.155918126e+00 4.365226564e-01 4.448800542e-01 -1.373719154e+00 -3.897388370e+00 -2.163671615e+00 -3.060803880e+00 -1.719615398e+00 2.22 -7.728970837e-01 -7.545051244e+00 -4.042276231e+00 -7.652422302e-01 -7.576306542e-01 -1.775391773e+00 -4.357054310e+00 -3.118964201e+00 -3.310521310e+00 -2.131406495e+00 2.24 -1.949874502e+00 -7.675388188e+00 -4.864283743e+00 -1.942858548e+00 -1.935881091e+00 -2.153042533e+00 -4.774420258e+00 -4.001486561e+00 -3.539160629e+00 -2.602764075e+00 2.26 3.539516840e+04 -7.757014419e+00 -5.557387910e+00 3.539517487e+04 3.539518130e+04 -2.473373596e+00 -5.118434252e+00 2.359399448e+04 -3.722235514e+00 7.079325805e+04 2.28 -3.909431532e+00 -7.795552228e+00 -6.134680946e+00 -3.903438075e+00 -3.897474777e+00 -2.742052232e+00 -5.396721044e+00 -5.460604632e+00 -3.864375437e+00 -3.507029880e+00 2.30 -4.699879093e+00 -7.798750230e+00 -6.622369243e+00 -4.694287894e+00 -4.688723275e+00 -2.971340193e+00 -5.623332187e+00 -6.038909811e+00 -3.975137619e+00 -3.875865339e+00 2.32 -5.383029251e+00 -7.770871095e+00 -7.030095225e+00 -5.377792616e+00 -5.372579385e+00 -3.165462424e+00 -5.802019488e+00 -6.529304668e+00 -4.057824174e+00 -4.190927557e+00 2.34 -5.969639785e+00 -7.715713939e+00 -7.366418027e+00 -5.964721448e+00 -5.959823741e+00 -3.328114936e+00 -5.912490171e+00 -6.940887422e+00 -4.115443198e+00 -4.457674049e+00 2.36 -6.469442743e+00 -7.636663597e+00 -7.638925421e+00 -6.464806843e+00 -6.460189201e+00 -3.462512786e+00 -5.956633724e+00 -7.281873069e+00 -4.147863023e+00 -4.681006360e+00 2.38 -6.891239271e+00 -7.513838786e+00 -7.854455694e+00 -6.886851300e+00 -6.882479572e+00 -3.571563522e+00 -5.946517984e+00 -7.559676982e+00 -4.138682813e+00 -4.865321012e+00 2.40 -7.242987653e+00 -7.326086119e+00 -8.019170217e+00 -7.238815318e+00 -7.234657583e+00 -3.657895842e+00 -5.894648800e+00 -7.780990635e+00 -4.090624448e+00 -5.014560059e+00 2.42 -7.531883476e+00 -7.086305977e+00 -8.138618927e+00 -7.527897537e+00 -7.523924865e+00 -3.723885346e+00 -5.813285825e+00 -7.951850166e+00 -4.011549763e+00 -5.132260453e+00 2.44 -7.764433300e+00 -6.808841203e+00 -8.217799553e+00 -7.760608188e+00 -7.756795282e+00 -3.771677945e+00 -5.713817188e+00 -8.077698587e+00 -3.909696023e+00 -5.221602244e+00 2.46 -7.946522290e+00 -6.508376660e+00 -8.261211632e+00 -7.942836484e+00 -7.939162056e+00 -3.803211276e+00 -5.606234953e+00 -8.163442502e+00 -3.793181543e+00 -5.285455110e+00 2.48 -8.083475295e+00 -6.199010563e+00 -8.272905319e+00 -8.079911416e+00 -8.076358269e+00 -3.820234017e+00 -5.498741224e+00 -8.213503458e+00 -3.669549761e+00 -5.326421253e+00 2.50 -8.180111633e+00 -5.893444878e+00 -8.256525541e+00 -8.176656253e+00 -8.173211102e+00 -3.824323463e+00 -5.397502406e+00 -8.231847388e+00 -3.545429283e+00 -5.346873338e+00 2.52 -8.240793580e+00 -5.602342703e+00 -8.201287828e+00 -8.237436800e+00 -8.234089847e+00 -3.816901504e+00 -5.306557024e+00 -8.222077079e+00 -3.426094736e+00 -5.348985635e+00 2.54 -8.269468607e+00 -5.333882944e+00 -8.082110505e+00 -8.266203462e+00 -8.262947813e+00 -3.799249123e+00 -5.227867894e+00 -8.187442154e+00 -3.315716417e+00 -5.334757190e+00 2.56 -8.269705845e+00 -5.093524873e+00 -7.908857252e+00 -8.266527652e+00 -8.263358669e+00 -3.772519562e+00 2.359361841e+04 -8.130841308e+00 -3.216841603e+00 -5.306026889e+00 2.58 -8.244727715e+00 -4.883978492e+00 -7.693853677e+00 -8.241633431e+00 -8.238548097e+00 -3.737750300e+00 -5.088515923e+00 -8.054881474e+00 -3.130630170e+00 -5.264481586e+00 2.60 -8.197437730e+00 -4.695513731e+00 -7.449888332e+00 -8.194425399e+00 -8.191421774e+00 -3.695873920e+00 -5.008561453e+00 -7.961902750e+00 1.769602762e+04 -5.211659595e+00 2.62 -8.130441376e+00 -4.489794110e+00 -7.189501704e+00 -8.127509731e+00 -8.124586557e+00 -3.647727976e+00 -4.921710961e+00 -7.853997808e+00 -2.983298162e+00 -5.148940115e+00 2.64 -8.046091771e+00 -4.248969740e+00 -6.924342895e+00 -8.043239835e+00 -8.040396139e+00 -3.594064009e+00 -4.829012622e+00 -7.733048625e+00 -2.907538032e+00 -5.077607654e+00 2.66 -7.946379012e+00 -3.981219708e+00 -6.664630100e+00 -7.943606084e+00 -7.940841168e+00 -3.535555697e+00 -4.731385231e+00 -7.600655182e+00 -2.830100694e+00 -4.998553745e+00 2.68 -7.833312737e+00 -3.696959945e+00 -6.418740441e+00 -7.830618174e+00 -7.827931395e+00 -3.472806311e+00 -4.629623490e+00 -7.458397102e+00 -2.751826216e+00 -4.913043087e+00 2.70 -7.708546527e+00 -3.406663722e+00 -6.192943785e+00 -7.705929707e+00 -7.703320448e+00 -3.406355498e+00 -4.524404288e+00 -7.307586060e+00 -2.673479267e+00 -4.821912048e+00 2.72 -7.573549878e+00 -3.120267957e+00 -5.991284205e+00 -7.571010204e+00 -7.568477867e+00 -3.336685493e+00 -4.416294748e+00 -7.149384385e+00 -2.595726728e+00 -4.725886592e+00 2.74 -7.429637062e+00 -2.846657824e+00 -5.815602834e+00 -7.427173961e+00 -7.424717976e+00 -3.264226745e+00 -4.302807171e+00 -6.984827669e+00 -2.519113501e+00 -4.625615020e+00 2.76 -7.277982554e+00 -2.593254342e+00 -5.665687731e+00 -7.275595476e+00 -7.273215295e+00 -3.189363149e+00 -4.175515923e+00 -6.814838223e+00 -2.444040846e+00 -4.521675786e+00 2.78 -7.119634939e+00 -2.365721699e+00 -5.531422787e+00 -7.117323358e+00 -7.115018456e+00 -3.112436769e+00 -4.036048436e+00 -6.640237370e+00 -2.370752216e+00 -4.414584550e+00 2.80 -6.955529796e+00 -2.167803112e+00 -5.394061335e+00 -6.953293209e+00 -6.951063084e+00 -3.033752243e+00 -3.887140755e+00 -6.461756723e+00 -2.299331349e+00 -4.304800753e+00 2.82 -6.786501438e+00 -2.001285732e+00 -5.253626775e+00 -6.784339362e+00 -6.782183533e+00 -2.953580816e+00 -3.731714279e+00 -6.267088501e+00 -2.229715297e+00 -4.192733621e+00 2.84 -6.613293811e+00 -1.866087197e+00 -5.110726354e+00 -6.611205785e+00 -6.609123791e+00 -2.872164118e+00 -3.572727276e+00 -6.024710188e+00 -2.161722089e+00 -4.078747781e+00 2.86 -6.436570439e+00 3.539640855e+04 -4.965895953e+00 -6.434556017e+00 -6.432547415e+00 -2.789717626e+00 -3.413034716e+00 -5.740781238e+00 -2.095089238e+00 -3.963168409e+00 2.88 -6.256923711e+00 -1.662306356e+00 -4.819603306e+00 -6.254982464e+00 -6.253046826e+00 -2.706433940e+00 -3.255262980e+00 -5.424882365e+00 -2.029516905e+00 -3.846286074e+00 2.90 -6.069118618e+00 -1.565890247e+00 -4.668408254e+00 -6.067250130e+00 -6.065387040e+00 -2.620564217e+00 -3.099783163e+00 -5.085445645e+00 -1.963267528e+00 -3.725478835e+00 2.92 -5.823173510e+00 -1.464210471e+00 -4.479015355e+00 -5.821377371e+00 -5.819586421e+00 -2.515445300e+00 -2.931654497e+00 -4.716216946e+00 -1.883466630e+00 -3.575752853e+00 2.94 -5.515881876e+00 -1.356988852e+00 -4.249288513e+00 -5.514157681e+00 -5.512438466e+00 -2.390007210e+00 -2.751075351e+00 -4.326232871e+00 -1.789002366e+00 -3.395503551e+00 2.96 -5.159493631e+00 -1.245965368e+00 -3.987373484e+00 -5.157840971e+00 -5.156193086e+00 -2.248333813e+00 -2.562915825e+00 -3.928909595e+00 -1.682702769e+00 -3.190856537e+00 2.98 -4.767609701e+00 -1.133139698e+00 -3.702297462e+00 -4.766028162e+00 -4.764451193e+00 -2.094961286e+00 -2.372015312e+00 -3.536947875e+00 -1.567805910e+00 -2.968615207e+00 3.00 -4.354446531e+00 -1.020671241e+00 -3.403483477e+00 -4.352935683e+00 -4.351429200e+00 -1.934633217e+00 -2.182930526e+00 -3.161786253e+00 -1.447765378e+00 -2.735893303e+00 3.02 -3.934128643e+00 -9.107704270e-01 -3.100284643e+00 -3.932688032e+00 -3.931251584e+00 -1.772065083e+00 -1.998814443e+00 -2.813162882e+00 -1.326051758e+00 -2.499761533e+00 3.04 -3.520041768e+00 -8.055820738e-01 -2.801559536e+00 -3.518670910e+00 -3.517304013e+00 -1.611728914e+00 -1.818045197e+00 -2.498798444e+00 -1.206006291e+00 -2.266924462e+00 3.06 -3.124273295e+00 -7.070442638e-01 -2.515305835e+00 -3.122971665e+00 -3.121673795e+00 -1.457667063e+00 -1.643875199e+00 -2.224205421e+00 -1.090600831e+00 -2.043441081e+00 3.08 -2.757159713e+00 -6.168680146e-01 -2.248364707e+00 -2.755926731e+00 -2.754697311e+00 -1.313341631e+00 -1.479883827e+00 -1.992622052e+00 -9.824965103e-01 -1.834498836e+00 3.10 -2.426954222e+00 -5.364366257e-01 -2.006204070e+00 -2.425789248e+00 -2.424627639e+00 -1.181523941e+00 -1.328966263e+00 4.719575293e+04 -8.837716909e-01 -1.644247751e+00 3.12 -2.139620197e+00 -4.666077524e-01 -1.792784027e+00 -2.138522513e+00 -2.137428000e+00 -1.064225912e+00 -1.193263239e+00 -1.641647256e+00 -7.959351590e-01 -1.475697415e+00 3.14 -1.898749884e+00 -4.077392192e-01 -1.610503828e+00 -1.897718686e+00 -1.896690466e+00 -9.626731542e-01 -1.074131890e+00 -1.494509959e+00 -7.199059425e-01 -1.330676557e+00 3.16 -1.705601574e+00 -3.596817113e-01 -1.460225893e+00 -1.704635955e+00 -1.703673125e+00 -8.773174862e-01 -9.721552695e-01 -1.363970723e+00 -6.560227002e-01 -1.209851778e+00 3.18 -1.559243362e+00 -3.218175358e-01 -1.341369321e+00 -1.558342300e+00 -1.557443842e+00 -8.078849080e-01 -8.871865718e-01 -1.250031626e+00 -6.040796986e-01 -1.112799493e+00 3.20 4.955598195e+04 4.866955391e+03 3.237627462e+04 3.342916732e+04 3.109583890e+04 1.538417649e+04 1.651832782e+04 1.651799419e+04 7.777201608e+03 2.831749806e+04 3.22 -1.355717558e+00 -2.676365660e-01 -1.164019536e+00 -1.354942025e+00 -1.354168733e+00 -6.998965588e-01 -7.518407429e-01 -1.056199053e+00 -5.233440057e-01 -9.646161909e-01 3.24 -1.258578826e+00 -2.449197088e-01 -1.079000015e+00 -1.257863971e+00 -1.257151182e+00 -6.481106287e-01 -6.884226555e-01 -9.636481528e-01 -4.846281001e-01 -8.936078004e-01 3.26 -1.162531355e+00 -2.240198171e-01 -9.951376467e-01 -1.161875575e+00 -1.161221688e+00 -5.972012183e-01 -6.273321231e-01 -8.737857380e-01 -4.465663222e-01 -8.237380290e-01 3.28 -1.068008317e+00 -2.044900476e-01 -9.128873609e-01 -1.067409835e+00 -1.066813081e+00 -5.473673971e-01 -5.687944859e-01 -7.870759191e-01 -4.093076265e-01 -7.552867036e-01 3.30 -9.754566185e-01 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-2.112598736e-01 -3.906009403e-01 3.42 -4.865894233e-01 -9.170799529e-02 -4.122538029e-01 -4.863275851e-01 -4.860665027e-01 -2.458695172e-01 -2.420749073e-01 -3.015943419e-01 -1.838699632e-01 -3.400636795e-01 3.44 -4.199887420e-01 -7.901121078e-02 -3.554261931e-01 -4.197639096e-01 -4.195397261e-01 -2.118249733e-01 -2.078311828e-01 -2.527860485e-01 -1.584120205e-01 -2.930706853e-01 3.46 -3.584947252e-01 -6.731808405e-02 -3.030432183e-01 -3.583037961e-01 -3.581134177e-01 -1.804723725e-01 -1.766340475e-01 -2.093625807e-01 -1.349667527e-01 -2.497761598e-01 3.48 -3.022933319e-01 -5.665573121e-02 -2.552402627e-01 -3.021331681e-01 -3.019734660e-01 -1.518841755e-01 -1.484247097e-01 -1.711915132e-01 -1.135884442e-01 -2.102854210e-01 3.50 -2.514911454e-01 -4.703646072e-02 -2.120860459e-01 -2.513586144e-01 -2.512264649e-01 -1.260931429e-01 -1.230724142e-01 -1.380561875e-01 -9.430169085e-02 -1.746488689e-01 3.52 -2.061085767e-01 -3.845648569e-02 -1.735768932e-01 -2.060005950e-01 -2.058929234e-01 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