# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Co-Fe # implementation = 2025--Sharifi-H--Cu-Co-Fe--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 2025-07-01 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 4.513117845e+02 nan nan 0.92 3.953563687e+02 nan nan 0.94 3.464436120e+02 nan nan 0.96 3.038493158e+02 nan nan 0.98 2.668642349e+02 4.567919048e+02 nan 1.00 2.345929523e+02 4.085580865e+02 nan 1.02 2.059957130e+02 3.642003426e+02 4.171420630e+02 1.04 1.807556245e+02 3.237392105e+02 3.721732770e+02 1.06 1.585704171e+02 2.871366934e+02 3.309561779e+02 1.08 1.391337130e+02 2.542484123e+02 2.935134371e+02 1.10 1.221474269e+02 2.248621273e+02 2.597494978e+02 1.12 1.073295995e+02 1.987259920e+02 2.294902180e+02 1.14 9.441896467e+01 1.755689797e+02 2.025124410e+02 1.16 8.317721018e+01 1.551153876e+02 1.785658004e+02 1.18 7.338961801e+01 1.370948514e+02 1.573885286e+02 1.20 6.486466061e+01 1.212490025e+02 1.387186976e+02 1.22 5.743288529e+01 1.073356334e+02 1.223019803e+02 1.24 5.094534697e+01 9.513104099e+01 1.078967894e+02 1.26 4.527188510e+01 8.443105234e+01 9.527746019e+01 1.28 4.029933210e+01 7.505111979e+01 8.423598236e+01 1.30 3.592972649e+01 6.682575226e+01 7.458268351e+01 1.32 3.207859319e+01 5.960753493e+01 6.614615773e+01 1.34 2.867332708e+01 5.326594191e+01 5.877269663e+01 1.36 2.565171468e+01 4.768600361e+01 5.232537862e+01 1.38 2.296058921e+01 4.276691220e+01 4.668293872e+01 1.40 2.055461873e+01 3.842063341e+01 4.173852933e+01 1.42 1.839523023e+01 3.457056390e+01 3.739843933e+01 1.44 1.644966075e+01 3.115026021e+01 3.358081435e+01 1.46 1.469012716e+01 2.810225782e+01 3.021442487e+01 1.48 1.309310292e+01 2.537698605e+01 2.723748970e+01 1.50 1.163868840e+01 2.293178267e+01 2.459654350e+01 1.52 1.031006756e+01 2.073000846e+01 2.224542815e+01 1.54 9.093054455e+00 1.874025540e+01 2.014440103e+01 1.56 7.975690326e+00 1.693564164e+01 1.825932583e+01 1.58 6.947899159e+00 1.529316351e+01 1.656094847e+01 1.60 6.001197552e+00 1.379314749e+01 1.502425092e+01 1.62 5.128417860e+00 1.241877843e+01 1.362787755e+01 1.64 4.323344126e+00 1.115568579e+01 1.235363140e+01 1.66 3.580467199e+00 9.991596660e+00 1.118603414e+01 1.68 2.894841569e+00 8.916035595e+00 1.011193999e+01 1.70 2.262009526e+00 7.920064708e+00 9.120199408e+00 1.72 1.677945194e+00 6.996053937e+00 8.201367461e+00 1.74 1.139005199e+00 6.137440464e+00 7.347452263e+00 1.76 6.418826409e-01 5.338532310e+00 6.551696601e+00 1.78 1.835691515e-01 4.594381235e+00 5.808391822e+00 1.80 -2.386744922e-01 3.900674941e+00 5.112715710e+00 1.82 -6.273475808e-01 3.253621633e+00 4.460559090e+00 1.84 -9.847352244e-01 2.649875171e+00 3.848408549e+00 1.86 -1.312930629e+00 2.086472767e+00 3.273256685e+00 1.88 -1.613854523e+00 1.560768743e+00 2.732511454e+00 1.90 -1.889273123e+00 1.070394158e+00 2.223933930e+00 1.92 -2.140813388e+00 6.132226757e-01 1.745587885e+00 1.94 -2.369976304e+00 1.873411146e-01 1.295797079e+00 1.96 -2.578148588e+00 -2.089759519e-01 8.731087892e-01 1.98 -2.766613932e+00 -5.772906227e-01 4.762589143e-01 2.00 -2.936574045e+00 -9.190523748e-01 1.040977487e-01 2.02 -3.089167187e+00 -1.235644985e+00 -2.444785043e-01 2.04 -3.225469992e+00 -1.528393145e+00 -5.705357198e-01 2.06 -3.346503636e+00 -1.798564277e+00 -8.751026226e-01 2.08 -3.453237172e+00 -2.047370376e+00 -1.159171571e+00 2.10 -3.546589696e+00 -2.275974757e+00 -1.423699355e+00 2.12 -3.627432450e+00 -2.485500097e+00 -1.669608003e+00 2.14 -3.696591003e+00 -2.677017931e+00 -1.897786099e+00 2.16 -3.754850180e+00 -2.851548630e+00 -2.109091352e+00 2.18 -3.802973636e+00 -3.010063526e+00 -2.304349234e+00 2.20 -3.841691287e+00 -3.153486964e+00 -2.484353063e+00 2.22 -3.871689296e+00 -3.282698291e+00 -2.649864926e+00 2.24 -3.893612391e+00 -3.398533770e+00 -2.801616603e+00 2.26 -3.908066153e+00 -3.501788441e+00 -2.940310470e+00 2.28 -3.915619191e+00 -3.593217909e+00 -3.066620398e+00 2.30 -3.916805190e+00 -3.673540063e+00 -3.181192631e+00 2.32 -3.912124870e+00 -3.743436747e+00 -3.284646661e+00 2.34 -3.902047822e+00 -3.803555353e+00 -3.377576079e+00 2.36 -3.887014258e+00 -3.854510362e+00 -3.460549420e+00 2.38 -3.867436662e+00 -3.896884822e+00 -3.534110991e+00 2.40 -3.843701358e+00 -3.931231774e+00 -3.598781682e+00 2.42 -3.816169984e+00 -3.958079252e+00 -3.655065219e+00 2.44 -3.785180899e+00 -3.977938219e+00 -3.703458881e+00 2.46 -3.751050715e+00 -3.991293289e+00 -3.744438460e+00 2.48 -3.714091049e+00 -3.998600842e+00 -3.778454364e+00 2.50 -3.674594727e+00 -4.000290727e+00 -3.805933176e+00 2.52 -3.632731916e+00 -3.996768660e+00 -3.827280294e+00 2.54 -3.588795829e+00 -3.988417488e+00 -3.842880931e+00 2.56 -3.543010225e+00 -3.975598350e+00 -3.853101000e+00 2.58 -3.495583562e+00 -3.958651777e+00 -3.858287975e+00 2.60 -3.446709875e+00 -3.937898748e+00 -3.858771708e+00 2.62 -3.396569611e+00 -3.913641689e+00 -3.854865216e+00 2.64 -3.345330415e+00 -3.886165429e+00 -3.846865437e+00 2.66 -3.293147874e+00 -3.855738101e+00 -3.835053957e+00 2.68 -3.240166219e+00 -3.822612006e+00 -3.819697696e+00 2.70 -3.186518988e+00 -3.787024437e+00 -3.801049580e+00 2.72 -3.132329659e+00 -3.749198454e+00 -3.779349177e+00 2.74 -3.077768439e+00 -3.709343629e+00 -3.754823307e+00 2.76 -3.023415231e+00 -3.667656750e+00 -3.727686627e+00 2.78 -2.968794960e+00 -3.624322491e+00 -3.698142193e+00 2.80 -2.913505510e+00 -3.579514050e+00 -3.666381996e+00 2.82 -2.858158257e+00 -3.533393756e+00 -3.632587479e+00 2.84 -2.802849617e+00 -3.486113640e+00 -3.596930027e+00 2.86 -2.748876598e+00 -3.437815988e+00 -3.559571460e+00 2.88 -2.699163349e+00 -3.388633857e+00 -3.520664503e+00 2.90 -2.645250737e+00 -3.338691567e+00 -3.480352944e+00 2.92 -2.590387397e+00 -3.288105173e+00 -3.438772513e+00 2.94 -2.535826528e+00 -3.236982907e+00 -3.396051007e+00 2.96 -2.481608722e+00 -3.185425602e+00 -3.352308683e+00 2.98 -2.427770063e+00 -3.133527093e+00 -3.307658641e+00 3.00 -2.374342402e+00 -3.081374597e+00 -3.262207170e+00 3.02 -2.321353624e+00 -3.029197565e+00 -3.216054079e+00 3.04 -2.268827895e+00 -2.978886472e+00 -3.169293011e+00 3.06 -2.216785900e+00 -2.931094296e+00 -3.122011748e+00 3.08 -2.165245073e+00 -2.878573506e+00 -3.074292495e+00 3.10 -2.114219805e+00 -2.826057465e+00 -3.026212157e+00 3.12 -2.063721655e+00 -2.773695090e+00 -2.977842605e+00 3.14 -2.013759544e+00 -2.721536354e+00 -2.929250920e+00 3.16 -1.964339948e+00 -2.669627029e+00 -2.880499643e+00 3.18 -1.915467080e+00 -2.618008923e+00 -2.831646995e+00 3.20 -1.867143067e+00 -2.566720099e+00 -2.782747099e+00 3.22 -1.819368132e+00 -2.515795092e+00 -2.733850193e+00 3.24 -1.772140760e+00 -2.465265107e+00 -2.685002823e+00 3.26 -1.725457873e+00 -2.415158210e+00 -2.636248039e+00 3.28 -1.679315003e+00 -2.365499507e+00 -2.587625575e+00 3.30 -1.633706464e+00 -2.316311317e+00 -2.539172021e+00 3.32 -1.588625529e+00 -2.267613331e+00 -2.490920993e+00 3.34 -1.544064609e+00 -2.219422772e+00 -2.442903292e+00 3.36 -1.500015439e+00 -2.171754531e+00 -2.395147053e+00 3.38 -1.456469272e+00 -2.124621315e+00 -2.347677891e+00 3.40 -1.413417073e+00 -2.078033774e+00 -2.300519044e+00 3.42 -1.370849732e+00 -2.032000627e+00 -2.253691503e+00 3.44 -1.328758274e+00 -1.986528782e+00 -2.207214142e+00 3.46 -1.287134089e+00 -1.941623452e+00 -2.161103838e+00 3.48 -1.245969161e+00 -1.897288261e+00 -2.115429570e+00 3.50 -1.205256313e+00 -1.853525355e+00 -2.071520674e+00 3.52 -1.164989453e+00 -1.810335496e+00 -2.032439292e+00 3.54 -1.125163829e+00 -1.767718169e+00 -1.992426482e+00 3.56 -1.085776285e+00 -1.725671671e+00 -1.948091386e+00 3.58 -1.046825516e+00 -1.684193208e+00 -1.904191885e+00 3.60 -1.008312315e+00 -1.643278987e+00 -1.860734061e+00 3.62 -9.702398151e-01 -1.602924306e+00 -1.817722832e+00 3.64 -9.326137068e-01 -1.563123647e+00 -1.775162050e+00 3.66 -8.954424360e-01 -1.523870765e+00 -1.733054588e+00 3.68 -8.587373658e-01 -1.485158783e+00 -1.691402429e+00 3.70 -8.225128987e-01 -1.446980285e+00 -1.650206754e+00 3.72 -7.867865465e-01 -1.409327409e+00 -1.609468027e+00 3.74 -7.515789410e-01 -1.372191951e+00 -1.569186084e+00 3.76 -7.169137750e-01 -1.335565463e+00 -1.529360212e+00 3.78 -6.828176676e-01 -1.299439361e+00 -1.489989240e+00 3.80 -6.493199457e-01 -1.263805033e+00 -1.451071617e+00 3.82 -6.164523396e-01 -1.228653956e+00 -1.412605504e+00 3.84 -5.842485882e-01 -1.193977813e+00 -1.374588851e+00 3.86 -5.527439592e-01 -1.159768619e+00 -1.337019485e+00 3.88 -5.219746868e-01 -1.126018844e+00 -1.299895195e+00 3.90 -4.919773375e-01 -1.092721551e+00 -1.263213812e+00 3.92 -4.627881174e-01 -1.059870525e+00 -1.226973299e+00 3.94 -4.344421374e-01 -1.027460411e+00 -1.191171828e+00 3.96 -4.069726570e-01 -9.954868517e-01 -1.155807868e+00 3.98 -3.804103304e-01 -9.639466198e-01 -1.120880262e+00 4.00 -3.547824772e-01 -9.328377480e-01 -1.086388305e+00 4.02 -3.318419162e-01 -9.021596514e-01 -1.052331825e+00 4.04 -3.348780102e-01 -8.719132391e-01 -1.018711251e+00 4.06 -3.603965988e-01 -8.421010107e-01 -9.855276855e-01 4.08 -3.305486988e-01 -8.127271340e-01 -9.527829620e-01 4.10 -3.213527635e-01 -7.837974994e-01 -9.204797051e-01 4.12 -3.105078372e-01 -7.553197465e-01 -8.886213770e-01 4.14 -2.999417153e-01 -7.273032579e-01 -8.572123168e-01 4.16 -2.896489635e-01 -6.997591168e-01 -8.262577684e-01 4.18 -2.796241903e-01 -6.727000241e-01 -7.957638970e-01 4.20 -2.698620480e-01 -6.461401723e-01 -7.657377918e-01 4.22 -2.603572342e-01 -6.200950746e-01 -7.361874537e-01 4.24 -2.511044942e-01 -5.945813487e-01 -7.071217683e-01 4.26 -2.420986234e-01 -5.693534749e-01 -6.785504599e-01 4.28 -2.333344694e-01 -5.391900739e-01 -6.504840300e-01 4.30 -2.248069351e-01 -4.914260087e-01 -6.229336752e-01 4.32 -2.165109803e-01 -4.492646908e-01 -5.959111887e-01 4.34 -2.084416243e-01 -4.372976669e-01 -5.694288418e-01 4.36 -2.005939473e-01 -4.242610333e-01 -5.434992490e-01 4.38 -1.929630927e-01 -4.116235266e-01 -5.181352159e-01 4.40 -1.853272407e-01 -3.993624520e-01 -4.933495724e-01 4.42 -1.737314002e-01 -3.874573588e-01 -4.691549937e-01 4.44 -1.435704098e-01 -3.758899398e-01 -4.455638104e-01 4.46 -5.620397224e-02 -3.646438902e-01 -4.225878131e-01 4.48 1.606042155e-02 -3.537047363e-01 -4.002380521e-01 4.50 1.735400036e-02 -3.430596482e-01 -3.785246387e-01 4.52 1.859467547e-02 -3.326972440e-01 -3.574565510e-01 4.54 1.978389603e-02 -3.226073975e-01 -3.370414482e-01 4.56 2.092308326e-02 -3.127810531e-01 -3.172854985e-01 4.58 2.201363053e-02 -3.032100549e-01 -2.981932233e-01 4.60 2.305690333e-02 -2.938869937e-01 -2.797673633e-01 4.62 2.405423940e-02 -2.848050718e-01 -2.620087686e-01 4.64 2.500694882e-02 -2.759579879e-01 -2.449163150e-01 4.66 2.591631416e-02 -2.673398411e-01 -2.284868512e-01 4.68 2.678359064e-02 -2.589450521e-01 -2.127151754e-01 4.70 2.761000636e-02 -2.507683006e-01 -1.975940444e-01 4.72 2.839676249e-02 -2.428044764e-01 -1.831142132e-01 4.74 2.914503354e-02 -2.350486415e-01 -1.692645056e-01 4.76 2.985596762e-02 -2.274960025e-01 -1.560319138e-01 4.78 3.053068670e-02 -2.201418902e-01 -1.434017236e-01 4.80 3.117028695e-02 -2.129817441e-01 -1.313576644e-01 4.82 3.177583901e-02 -2.060111028e-01 -1.198820774e-01 4.84 3.234838835e-02 -1.992255965e-01 -1.089561015e-01 4.86 3.288895559e-02 -1.926209417e-01 -9.855987011e-02 4.88 3.339853688e-02 -1.861929383e-01 -8.867271597e-02 4.90 3.387810421e-02 -1.799374669e-01 -7.927337906e-02 4.92 3.421884216e-02 -1.736865881e-01 -7.049938246e-02 4.94 3.299449144e-02 -1.653943009e-01 -6.454594871e-02 4.96 2.662654145e-02 -1.478956357e-01 -6.517708184e-02 4.98 1.237948796e-02 -9.764048868e-02 -5.802264265e-02 5.00 -6.288820678e-23 -2.863158175e-22 -2.968665749e-22 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 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