# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn # implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--LAMMPS--ipr1 # composition = CuFe3 # 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 2024-01-04 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 7.743152539e+02 nan nan 0.90 7.065963889e+02 nan nan 0.92 6.455342583e+02 nan nan 0.94 5.904291361e+02 nan nan 0.96 5.406792316e+02 nan nan 0.98 4.957060570e+02 7.080020310e+02 7.985363048e+02 1.00 4.549928211e+02 6.517774469e+02 7.355837568e+02 1.02 4.179517159e+02 6.006089071e+02 6.782592659e+02 1.04 3.840638097e+02 5.538418652e+02 6.256731275e+02 1.06 3.530328227e+02 5.110890547e+02 5.773626613e+02 1.08 3.246043345e+02 4.719655778e+02 5.329606036e+02 1.10 2.984664465e+02 4.361925564e+02 4.921827613e+02 1.12 2.744460861e+02 4.034750550e+02 4.547619645e+02 1.14 2.523868679e+02 3.735346082e+02 4.204468678e+02 1.16 2.321395146e+02 3.461117697e+02 3.889781089e+02 1.18 2.135636425e+02 3.209393031e+02 3.600281450e+02 1.20 1.965291730e+02 2.977610743e+02 3.333801240e+02 1.22 1.808900667e+02 2.763483285e+02 3.088636165e+02 1.24 1.665029756e+02 2.564685153e+02 2.863107827e+02 1.26 1.532496068e+02 2.379239882e+02 2.655523966e+02 1.28 1.410338528e+02 2.206150877e+02 2.464362989e+02 1.30 1.297628822e+02 2.044505581e+02 2.288180792e+02 1.32 1.193504720e+02 1.893552547e+02 2.125429353e+02 1.34 1.096873899e+02 1.752621177e+02 1.974674352e+02 1.36 1.006740601e+02 1.621141986e+02 1.834629449e+02 1.38 9.226448442e+01 1.498519972e+02 1.704236173e+02 1.40 8.440887134e+01 1.384207100e+02 1.582824272e+02 1.42 7.706569363e+01 1.277691010e+02 1.469789590e+02 1.44 7.020250000e+01 1.178507889e+02 1.364340714e+02 1.46 6.378871271e+01 1.085830742e+02 1.265901355e+02 1.48 5.779735717e+01 9.990388596e+01 1.173937425e+02 1.50 5.220622392e+01 9.178527816e+01 1.087596698e+02 1.52 4.699802719e+01 8.420602341e+01 1.006040246e+02 1.54 4.215775856e+01 7.714411384e+01 9.291125099e+01 1.56 3.767154937e+01 7.057426619e+01 8.566755255e+01 1.58 3.352666214e+01 6.446813906e+01 7.885676652e+01 1.60 2.970963934e+01 5.879507285e+01 7.245671143e+01 1.62 2.620571468e+01 5.352538058e+01 6.644533503e+01 1.64 2.299613202e+01 4.863086117e+01 6.080213055e+01 1.66 2.004203212e+01 4.408368287e+01 5.551059592e+01 1.68 1.732684710e+01 3.985785132e+01 5.055728785e+01 1.70 1.484037557e+01 3.593003068e+01 4.592960934e+01 1.72 1.257187673e+01 3.227871924e+01 4.161560269e+01 1.74 1.050988813e+01 2.888296496e+01 3.760332563e+01 1.76 8.642225989e+00 2.571934130e+01 3.388013886e+01 1.78 6.957028949e+00 2.277859525e+01 3.043201925e+01 1.80 5.445618955e+00 2.005449624e+01 2.724361432e+01 1.82 4.099230290e+00 1.754094790e+01 2.429797186e+01 1.84 2.905357654e+00 1.523208261e+01 2.157834428e+01 1.86 1.851239093e+00 1.312170197e+01 1.906871432e+01 1.88 9.249956620e-01 1.120184216e+01 1.675376035e+01 1.90 1.158914428e-01 9.463436390e+00 1.461802928e+01 1.92 -5.843394201e-01 7.897054653e+00 1.264735835e+01 1.94 -1.183482663e+00 6.491523931e+00 1.083147744e+01 1.96 -1.689256468e+00 5.234105447e+00 9.163585254e+00 1.98 -2.109355206e+00 4.111319022e+00 7.637441194e+00 2.00 -2.451682298e+00 3.109789359e+00 6.247051584e+00 2.02 -2.728111033e+00 2.209254825e+00 4.975908554e+00 2.04 -2.950135416e+00 1.392140853e+00 3.810073534e+00 2.06 -3.126491109e+00 6.517574154e-01 2.747433834e+00 2.08 -3.266754600e+00 -1.565548623e-02 1.785682953e+00 2.10 -3.380770660e+00 -6.135487789e-01 9.221778831e-01 2.12 -3.477397957e+00 -1.145222286e+00 1.542447977e-01 2.14 -3.560163234e+00 -1.613932107e+00 -5.207683637e-01 2.16 -3.629993932e+00 -2.022924361e+00 -1.106422663e+00 2.18 -3.687372133e+00 -2.375459822e+00 -1.607472439e+00 2.20 -3.732737132e+00 -2.675103328e+00 -2.028874623e+00 2.22 -3.766577871e+00 -2.925770867e+00 -2.376417056e+00 2.24 -3.790127756e+00 -3.132621600e+00 -2.658702458e+00 2.26 -3.804847886e+00 -3.301146617e+00 -2.884971908e+00 2.28 -3.811916274e+00 -3.436379489e+00 -3.064335533e+00 2.30 -3.812350377e+00 -3.543511276e+00 -3.205863675e+00 2.32 -3.807000742e+00 -3.627898572e+00 -3.318368290e+00 2.34 -3.796337510e+00 -3.694204190e+00 -3.409577877e+00 2.36 -3.780390747e+00 -3.746880030e+00 -3.486534578e+00 2.38 -3.759118280e+00 -3.788680241e+00 -3.553150524e+00 2.40 -3.732480279e+00 -3.820556085e+00 -3.610651931e+00 2.42 -3.700384055e+00 -3.843318481e+00 -3.660064712e+00 2.44 -3.662669235e+00 -3.857565345e+00 -3.702069880e+00 2.46 -3.619175864e+00 -3.863778353e+00 -3.737044421e+00 2.48 -3.570031460e+00 -3.862426795e+00 -3.765250918e+00 2.50 -3.515627235e+00 -3.854019035e+00 -3.786915225e+00 2.52 -3.456345747e+00 -3.839126996e+00 -3.802299777e+00 2.54 -3.392726209e+00 -3.818578360e+00 -3.812085961e+00 2.56 -3.325434755e+00 -3.793237453e+00 -3.817042804e+00 2.58 -3.255177167e+00 -3.763951062e+00 -3.817917585e+00 2.60 -3.182686169e+00 -3.731467954e+00 -3.815441000e+00 2.62 -3.108677867e+00 -3.696275406e+00 -3.810042199e+00 2.64 -3.033736845e+00 -3.658461754e+00 -3.801462705e+00 2.66 -2.958416199e+00 -3.617965184e+00 -3.789505994e+00 2.68 -2.883271121e+00 -3.574733579e+00 -3.774019144e+00 2.70 -2.808849828e+00 -3.528802002e+00 -3.754858229e+00 2.72 -2.735465444e+00 -3.480268543e+00 -3.731920894e+00 2.74 -2.663039919e+00 -3.429302344e+00 -3.705295204e+00 2.76 -2.591450907e+00 -3.376125285e+00 -3.675145308e+00 2.78 -2.520664813e+00 -3.321063067e+00 -3.641634043e+00 2.80 -2.450766216e+00 -3.264516776e+00 -3.604921832e+00 2.82 -2.381803173e+00 -3.206903640e+00 -3.565113977e+00 2.84 -2.313791224e+00 -3.148600175e+00 -3.522239297e+00 2.86 -2.246748631e+00 -3.089974479e+00 -3.476339963e+00 2.88 -2.180704836e+00 -3.031326452e+00 -3.427485436e+00 2.90 -2.115693865e+00 -2.972688461e+00 -3.375765283e+00 2.92 -2.051754387e+00 -2.913934403e+00 -3.321250893e+00 2.94 -1.988941783e+00 -2.854917616e+00 -3.263953578e+00 2.96 -1.927344699e+00 -2.795480606e+00 -3.203874863e+00 2.98 -1.867051286e+00 -2.735456085e+00 -3.141007736e+00 3.00 -1.807939901e+00 -2.674668656e+00 -3.075307962e+00 3.02 -1.749725470e+00 -2.612971731e+00 -3.006746426e+00 3.04 -1.692220615e+00 -2.550354311e+00 -2.935490680e+00 3.06 -1.635445133e+00 -2.486837754e+00 -2.861771283e+00 3.08 -1.579481755e+00 -2.422442077e+00 -2.785856999e+00 3.10 -1.524419814e+00 -2.357218731e+00 -2.708065779e+00 3.12 -1.470352346e+00 -2.291315161e+00 -2.628823922e+00 3.14 -1.417372724e+00 -2.224901933e+00 -2.548572360e+00 3.16 -1.365571383e+00 -2.158153068e+00 -2.467751315e+00 3.18 -1.315032765e+00 -2.091248770e+00 -2.386802272e+00 3.20 -1.265836508e+00 -2.024378457e+00 -2.306169094e+00 3.22 -1.218089249e+00 -1.957752253e+00 -2.226298419e+00 3.24 -1.171906843e+00 -1.891664008e+00 -2.147641327e+00 3.26 -1.127392520e+00 -1.826453248e+00 -2.070655178e+00 3.28 -1.084635161e+00 -1.762473644e+00 -1.995804695e+00 3.30 -1.043707884e+00 -1.700088675e+00 -1.923562577e+00 3.32 -1.004650959e+00 -1.639643303e+00 -1.854346390e+00 3.34 -9.674231527e-01 -1.581310855e+00 -1.788272852e+00 3.36 -9.319483353e-01 -1.525089957e+00 -1.725209720e+00 3.38 -8.981304543e-01 -1.470946339e+00 -1.664991153e+00 3.40 -8.658528019e-01 -1.418841384e+00 -1.607458626e+00 3.42 -8.349891100e-01 -1.368732253e+00 -1.552460267e+00 3.44 -8.054589706e-01 -1.320571376e+00 -1.499850083e+00 3.46 -7.772082797e-01 -1.274305390e+00 -1.449487127e+00 3.48 -7.501935728e-01 -1.229874143e+00 -1.401234590e+00 3.50 -7.243658652e-01 -1.187209813e+00 -1.354958810e+00 3.52 -6.996705933e-01 -1.146236091e+00 -1.310528203e+00 3.54 -6.760483038e-01 -1.106867286e+00 -1.267812054e+00 3.56 -6.534351465e-01 -1.069007893e+00 -1.226679176e+00 3.58 -6.317621822e-01 -1.032556075e+00 -1.187002220e+00 3.60 -6.109575865e-01 -9.974189032e-01 -1.148679601e+00 3.62 -5.909543273e-01 -9.634985932e-01 -1.111613969e+00 3.64 -5.716784402e-01 -9.306861059e-01 -1.075701834e+00 3.66 -5.530529205e-01 -8.988717118e-01 -1.040832916e+00 3.68 -5.349970849e-01 -8.679667959e-01 -1.006890069e+00 3.70 -5.174336005e-01 -8.378842293e-01 -9.737497692e-01 3.72 -5.002871985e-01 -8.085504057e-01 -9.413077841e-01 3.74 -4.835136556e-01 -7.799525869e-01 -9.095544472e-01 3.76 -4.670666730e-01 -7.520875293e-01 -8.785008984e-01 3.78 -4.509282182e-01 -7.249487793e-01 -8.481554985e-01 3.80 -4.351027864e-01 -6.985271819e-01 -8.185233913e-01 3.82 -4.196133060e-01 -6.728150939e-01 -7.896118345e-01 3.84 -4.044888285e-01 -6.478330029e-01 -7.614695411e-01 3.86 -3.897184074e-01 -6.236123722e-01 -7.341600098e-01 3.88 -3.753329075e-01 -6.001811357e-01 -7.077405596e-01 3.90 -3.613730879e-01 -5.775666631e-01 -6.822617389e-01 3.92 -3.477512754e-01 -5.557885717e-01 -6.577663593e-01 3.94 -3.342913807e-01 -5.348690033e-01 -6.342883314e-01 3.96 -3.212990037e-01 -5.148155366e-01 -6.118540710e-01 3.98 -3.089876449e-01 -4.956467736e-01 -5.904794556e-01 4.00 -2.974744346e-01 -4.772033790e-01 -5.701689969e-01 4.02 -2.868230223e-01 -4.597247944e-01 -5.509146072e-01 4.04 -2.772114231e-01 -4.433881520e-01 -5.327054708e-01 4.06 -2.682382616e-01 -4.282944957e-01 -5.155085435e-01 4.08 -2.595043588e-01 -4.142194737e-01 -4.992829281e-01 4.10 -2.507739393e-01 -4.007126049e-01 -4.839704195e-01 4.12 -2.419145655e-01 -3.875711303e-01 -4.694915334e-01 4.14 -2.328535765e-01 -3.747160815e-01 -4.557631238e-01 4.16 -2.235466185e-01 -3.621017504e-01 -4.426894951e-01 4.18 -2.139551553e-01 -3.496661826e-01 -4.301608069e-01 4.20 -2.040304468e-01 -3.372842261e-01 -4.180388986e-01 4.22 -1.937173874e-01 -3.248332984e-01 -4.062088373e-01 4.24 -1.829579870e-01 -3.123884126e-01 -3.946537707e-01 4.26 -1.718215665e-01 -3.000500784e-01 -3.833807981e-01 4.28 -1.604563910e-01 -2.879093080e-01 -3.723968414e-01 4.30 -1.489866198e-01 -2.760493088e-01 -3.617079356e-01 4.32 -1.375171802e-01 -2.644668549e-01 -3.511993986e-01 4.34 -1.261379111e-01 -2.532087500e-01 -3.408401098e-01 4.36 -1.149284527e-01 -2.423870735e-01 -3.307075271e-01 4.38 -1.039614435e-01 -2.320897137e-01 -3.208621140e-01 4.40 -9.330479252e-02 -2.223829492e-01 -3.113498917e-01 4.42 -8.302405632e-02 -2.133129321e-01 -3.022046602e-01 4.44 -7.318408764e-02 -2.049054423e-01 -2.934499269e-01 4.46 -6.384976663e-02 -1.971664290e-01 -2.851005778e-01 4.48 -5.508565428e-02 -1.901212214e-01 -2.772207434e-01 4.50 -4.695365873e-02 -1.837745042e-01 -2.698610585e-01 4.52 -3.950289660e-02 -1.779570684e-01 -2.628247592e-01 4.54 -3.276972244e-02 -1.725120963e-01 -2.559423941e-01 4.56 -2.677869749e-02 -1.673038254e-01 -2.490800259e-01 4.58 -2.153910398e-02 -1.622185011e-01 -2.421334198e-01 4.60 -1.704236481e-02 -1.571639752e-01 -2.350223895e-01 4.62 -1.326098876e-02 -1.520658391e-01 -2.276864271e-01 4.64 -1.014932644e-02 -1.468655819e-01 -2.200809961e-01 4.66 -7.646071788e-03 -1.415184604e-01 -2.121743816e-01 4.68 -5.678120360e-03 -1.359915914e-01 -2.039450357e-01 4.70 -4.165183540e-03 -1.302620538e-01 -1.953793660e-01 4.72 -3.025868324e-03 -1.243154115e-01 -1.864704106e-01 4.74 -2.188144207e-03 -1.181173768e-01 -1.771763211e-01 4.76 -1.587760823e-03 -1.117053161e-01 -1.675585955e-01 4.78 -1.167872382e-03 -1.051504826e-01 -1.577263489e-01 4.80 -8.802713527e-04 -9.851479537e-02 -1.477728181e-01 4.82 -6.857197997e-04 -9.185180596e-02 -1.377783339e-01 4.84 -5.535954245e-04 -8.520800459e-02 -1.278126319e-01 4.86 -4.610881739e-04 -7.862437378e-02 -1.179371857e-01 4.88 -3.921577281e-04 -7.213780857e-02 -1.082073379e-01 4.90 -3.364154584e-04 -6.578237736e-02 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