# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = Cr3Ni # 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 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 -3.573598120e+02 nan nan 0.96 -3.342567245e+02 nan nan 0.98 -3.130550637e+02 nan nan 1.00 -2.934748130e+02 nan nan 1.02 -2.754434608e+02 nan nan 1.04 -2.588643154e+02 -3.427126154e+02 nan 1.06 -2.435512778e+02 -3.227009097e+02 -3.531408588e+02 1.08 -2.293138781e+02 -3.042441596e+02 -3.329737528e+02 1.10 -2.160523063e+02 -2.871559930e+02 -3.140177911e+02 1.12 -2.035676737e+02 -2.711579569e+02 -2.962149485e+02 1.14 -1.918439737e+02 -2.561141676e+02 -2.795837410e+02 1.16 -1.808151652e+02 -2.418748446e+02 -2.640983948e+02 1.18 -1.704902613e+02 -2.285209318e+02 -2.497542660e+02 1.20 -1.606824531e+02 -2.161363651e+02 -2.365528879e+02 1.22 -1.512797797e+02 -2.046820264e+02 -2.243985535e+02 1.24 -1.421647069e+02 -1.940394776e+02 -2.131222764e+02 1.26 -1.332947678e+02 -1.840875760e+02 -2.024676521e+02 1.28 -1.246663673e+02 -1.746539713e+02 -1.922715934e+02 1.30 -1.162626671e+02 -1.657010196e+02 -1.824761816e+02 1.32 -1.080364593e+02 -1.571012657e+02 -1.730649389e+02 1.34 -9.998147194e+01 -1.487834651e+02 -1.640588166e+02 1.36 -9.209203975e+01 -1.406841547e+02 -1.554202005e+02 1.38 -8.439683254e+01 -1.328535886e+02 -1.471570350e+02 1.40 -7.690584707e+01 -1.252489132e+02 -1.392489247e+02 1.42 -6.962676129e+01 -1.178343374e+02 -1.316187158e+02 1.44 -6.260055118e+01 -1.105140090e+02 -1.242437010e+02 1.46 -5.583188556e+01 -1.031871888e+02 -1.170336456e+02 1.48 -4.932734528e+01 -9.588753336e+01 -1.099665511e+02 1.50 -4.304435469e+01 -8.860471165e+01 -1.029869112e+02 1.52 -3.699076611e+01 -8.135795997e+01 -9.603059098e+01 1.54 -3.118443679e+01 -7.417759590e+01 -8.908746182e+01 1.56 -2.570733799e+01 -6.708830202e+01 -8.216408182e+01 1.58 -2.057993823e+01 -6.008989322e+01 -7.535290599e+01 1.60 -1.580650146e+01 -5.320353611e+01 -6.869757770e+01 1.62 -1.137597339e+01 -4.649753446e+01 -6.222597290e+01 1.64 -7.683628319e+00 -4.005517071e+01 -5.594958337e+01 1.66 -5.040575231e+00 -3.395565630e+01 -4.988357347e+01 1.68 -3.318874174e+00 -2.828382319e+01 -4.398511200e+01 1.70 -2.268590747e+00 -2.304482642e+01 -3.834452758e+01 1.72 -1.687837585e+00 -1.824550774e+01 -3.295365931e+01 1.74 -1.421071053e+00 -1.387159380e+01 -2.780821533e+01 1.76 -1.366605362e+00 -9.929603006e+00 -2.294819839e+01 1.78 -1.443178704e+00 -6.865338340e+00 -1.839596036e+01 1.80 -1.591649372e+00 -4.734390025e+00 -1.416358353e+01 1.82 -1.779243112e+00 -3.282938783e+00 -1.024242177e+01 1.84 -1.982361195e+00 -2.323278982e+00 -7.026868827e+00 1.86 -2.184864026e+00 -1.728768012e+00 -4.763146623e+00 1.88 -2.382521478e+00 -1.400227739e+00 -3.219687241e+00 1.90 -2.573313472e+00 -1.261910693e+00 -2.200466973e+00 1.92 -2.754786757e+00 -1.255399880e+00 -1.569729662e+00 1.94 -2.924576590e+00 -1.339666924e+00 -1.214737973e+00 1.96 -3.071991070e+00 -1.486224867e+00 -1.056585051e+00 1.98 -3.204055182e+00 -1.674155526e+00 -1.038193000e+00 2.00 -3.320963911e+00 -1.881956429e+00 -1.111617365e+00 2.02 -3.426093873e+00 -2.095606317e+00 -1.243956385e+00 2.04 -3.524980544e+00 -2.315767814e+00 -1.424963985e+00 2.06 -3.618878885e+00 -2.532910686e+00 -1.634625930e+00 2.08 -3.707511707e+00 -2.743347755e+00 -1.860749438e+00 2.10 -3.790545876e+00 -2.944220468e+00 -2.091961358e+00 2.12 -3.867852638e+00 -3.133568011e+00 -2.319461160e+00 2.14 -3.931758968e+00 -3.293826609e+00 -2.533323557e+00 2.16 -3.992750534e+00 -3.445124252e+00 -2.737793374e+00 2.18 -4.047173778e+00 -3.579484003e+00 -2.931645550e+00 2.20 -4.090125267e+00 -3.696288724e+00 -3.114761275e+00 2.22 -4.126974391e+00 -3.796563732e+00 -3.286896901e+00 2.24 -4.144764706e+00 -3.883134095e+00 -3.449825155e+00 2.26 -4.156154744e+00 -3.956997130e+00 -3.604248087e+00 2.28 -4.156680094e+00 -4.019189349e+00 -3.724500095e+00 2.30 -4.147049391e+00 -4.071399293e+00 -3.840744660e+00 2.32 -4.128138732e+00 -4.115918683e+00 -3.940520465e+00 2.34 -4.100939793e+00 -4.140828871e+00 -4.023913150e+00 2.36 -4.066525307e+00 -4.166315836e+00 -4.091714001e+00 2.38 -4.025852772e+00 -4.186971256e+00 -4.145395975e+00 2.40 -3.979565984e+00 -4.189765872e+00 -4.186872982e+00 2.42 -3.927785841e+00 -4.192699568e+00 -4.218046258e+00 2.44 -3.870709557e+00 -4.188968012e+00 -4.240881285e+00 2.46 -3.808752721e+00 -4.179261210e+00 -4.253279490e+00 2.48 -3.742413335e+00 -4.164926939e+00 -4.260779842e+00 2.50 -3.672502063e+00 -4.147301635e+00 -4.261936742e+00 2.52 -3.599932028e+00 -4.126688359e+00 -4.256616551e+00 2.54 -3.525560133e+00 -4.102772419e+00 -4.244347986e+00 2.56 -3.448445764e+00 -4.075245851e+00 -4.225249775e+00 2.58 -3.371527238e+00 -4.043895579e+00 -4.199871919e+00 2.60 -3.294695293e+00 -4.006666761e+00 -4.169044056e+00 2.62 -3.213930034e+00 -3.966317042e+00 -4.133781206e+00 2.64 -3.135644548e+00 -3.922027715e+00 -4.095233361e+00 2.66 -3.057739552e+00 -3.874052757e+00 -4.054695759e+00 2.68 -2.980204869e+00 -3.822568338e+00 -4.013546623e+00 2.70 -2.900063894e+00 -3.767742527e+00 -3.959397191e+00 2.72 -2.821103769e+00 -3.709788202e+00 -3.911554010e+00 2.74 -2.741294702e+00 -3.648911424e+00 -3.863210790e+00 2.76 -2.660144131e+00 -3.585299739e+00 -3.814466318e+00 2.78 -2.577112683e+00 -3.519303660e+00 -3.764906473e+00 2.80 -2.491913648e+00 -3.451534750e+00 -3.714132624e+00 2.82 -2.404481812e+00 -3.382652890e+00 -3.661796493e+00 2.84 -2.314955721e+00 -3.313210094e+00 -3.607622358e+00 2.86 -2.223591796e+00 -3.243525682e+00 -3.551461885e+00 2.88 -2.130763857e+00 -3.173607586e+00 -3.493292507e+00 2.90 -2.037160135e+00 -3.103251317e+00 -3.433188812e+00 2.92 -1.943565375e+00 -3.032195536e+00 -3.371289101e+00 2.94 -1.850614064e+00 -2.960003977e+00 -3.307770803e+00 2.96 -1.758832472e+00 -2.886276387e+00 -3.242849346e+00 2.98 -1.668811452e+00 -2.810662694e+00 -3.176825632e+00 3.00 -1.579678821e+00 -2.731596014e+00 -3.107691127e+00 3.02 -1.492807614e+00 -2.648826193e+00 -3.035793900e+00 3.04 -1.409326654e+00 -2.565090796e+00 -2.963811012e+00 3.06 -1.328901164e+00 -2.479512364e+00 -2.889866265e+00 3.08 -1.251727979e+00 -2.392550934e+00 -2.813801412e+00 3.10 -1.178010356e+00 -2.304640924e+00 -2.735373910e+00 3.12 -1.107917944e+00 -2.216406615e+00 -2.654387526e+00 3.14 -1.041575727e+00 -2.118766115e+00 -2.570635263e+00 3.16 -9.790827197e-01 -2.026376998e+00 -2.483854114e+00 3.18 -9.205516093e-01 -1.934591488e+00 -2.393739264e+00 3.20 -8.660510186e-01 -1.844173165e+00 -2.299973285e+00 3.22 -8.103163945e-01 -1.755674486e+00 -2.202802609e+00 3.24 -7.608568618e-01 -1.669513748e+00 -2.103103091e+00 3.26 -7.145192162e-01 -1.585988682e+00 -2.001865206e+00 3.28 -6.711870522e-01 -1.505294870e+00 -1.900270398e+00 3.30 -6.307509868e-01 -1.427538362e+00 -1.799446680e+00 3.32 -5.931123150e-01 -1.352744785e+00 -1.700407408e+00 3.34 -5.549992542e-01 -1.280866706e+00 -1.604043674e+00 3.36 -5.208358981e-01 -1.211823170e+00 -1.511125883e+00 3.38 -4.886080690e-01 -1.145508471e+00 -1.422295558e+00 3.40 -4.581522996e-01 -1.081820077e+00 -1.338043270e+00 3.42 -4.293080845e-01 -1.020762563e+00 -1.258765552e+00 3.44 -4.019506232e-01 -9.623429578e-01 -1.184789639e+00 3.46 -3.760270100e-01 -9.065544917e-01 -1.116386282e+00 3.48 -3.501269066e-01 -8.533834959e-01 -1.041239040e+00 3.50 -3.262778120e-01 -8.028124873e-01 -9.778511371e-01 3.52 -3.035958827e-01 -7.548223423e-01 -9.185325098e-01 3.54 -2.820386966e-01 -7.093922017e-01 -8.631451722e-01 3.56 -2.615629737e-01 -6.664993365e-01 -8.115353846e-01 3.58 -2.421249144e-01 -6.261180779e-01 -7.635382544e-01 3.60 -2.236802099e-01 -5.882191386e-01 -7.189815652e-01 3.62 -2.061844155e-01 -5.527711214e-01 -6.776891097e-01 3.64 -1.895915203e-01 -5.197457100e-01 -6.394744997e-01 3.66 -1.738505132e-01 -4.891465405e-01 -6.041227141e-01 3.68 -1.589095872e-01 -4.561317273e-01 -5.714151640e-01 3.70 -1.447169397e-01 -4.277358631e-01 -5.411413672e-01 3.72 -1.312153083e-01 -4.009699710e-01 -5.131067762e-01 3.74 -1.183308005e-01 -3.757397236e-01 -4.871257072e-01 3.76 -1.055897892e-01 -3.519532758e-01 -4.630200670e-01 3.78 -9.223449754e-02 -3.295214976e-01 -4.406189627e-01 3.80 -7.772065600e-02 -3.083580850e-01 -4.197574401e-01 3.82 -6.170247437e-02 -2.883796766e-01 -4.002741887e-01 3.84 -4.400491028e-02 -2.695059141e-01 -3.820087902e-01 3.86 -2.459987800e-02 -2.516623543e-01 -3.648037332e-01 3.88 -3.593172101e-03 -2.348017947e-01 -3.485408660e-01 3.90 1.880710832e-02 -2.188899812e-01 -3.331159538e-01 3.92 4.233438747e-02 -2.038920318e-01 -3.184267667e-01 3.94 6.665531055e-02 -1.897702719e-01 -3.044108337e-01 3.96 9.137909601e-02 -1.764828352e-01 -2.910139167e-01 3.98 1.160745874e-01 -1.639877871e-01 -2.781805995e-01 4.00 1.402844044e-01 -1.522442659e-01 -2.658564499e-01 4.02 1.635410899e-01 -1.411246488e-01 -2.539895377e-01 4.04 1.853796707e-01 -1.302635811e-01 -2.425310477e-01 4.06 2.053650756e-01 -1.193463618e-01 -2.314354054e-01 4.08 2.231785412e-01 -1.081280086e-01 -2.206593638e-01 4.10 2.385911799e-01 -9.638996405e-02 -2.101617375e-01 4.12 2.514384871e-01 -8.400139339e-02 -1.999019684e-01 4.14 2.616193314e-01 -7.089880424e-02 -1.898394487e-01 4.16 2.690925985e-01 -5.706145200e-02 -1.799331234e-01 4.18 2.738733319e-01 -4.251966105e-02 -1.701389421e-01 4.20 2.760271011e-01 -2.734951876e-02 -1.602103973e-01 4.22 2.756551179e-01 -1.165455206e-02 -1.497182258e-01 4.24 2.728943961e-01 4.439365575e-03 -1.383340906e-01 4.26 2.679142927e-01 2.077758843e-02 -1.228580596e-01 4.28 2.609187951e-01 3.718510369e-02 -1.077884236e-01 4.30 2.521404767e-01 5.347497851e-02 -9.088176245e-02 4.32 2.418264870e-01 6.945492135e-02 -7.194041876e-02 4.34 2.302312140e-01 8.493430378e-02 -5.089197104e-02 4.36 2.176102767e-01 9.972965313e-02 -2.777734384e-02 4.38 2.042155757e-01 1.136693067e-01 -2.739063665e-03 4.40 1.902919562e-01 1.265989466e-01 2.399206054e-02 4.42 1.760746594e-01 1.383852697e-01 5.210903781e-02 4.44 1.617881517e-01 1.489200536e-01 8.124182892e-02 4.46 1.476451999e-01 1.581223853e-01 1.109696854e-01 4.48 1.338457957e-01 1.659425153e-01 1.408350535e-01 4.50 1.205754483e-01 1.723625135e-01 1.703551566e-01 4.52 1.080008878e-01 1.773936051e-01 1.990353539e-01 4.54 9.624473873e-02 1.810592230e-01 2.264009994e-01 4.56 8.540011901e-02 1.834414990e-01 2.520770121e-01 4.58 7.553911294e-02 1.846600866e-01 2.757505116e-01 4.60 6.671077695e-02 1.848539672e-01 2.971562347e-01 4.62 5.894008240e-02 1.841721211e-01 3.160777505e-01 4.64 5.222631489e-02 1.827630850e-01 3.323483673e-01 4.66 4.654286277e-02 1.807650409e-01 3.458495982e-01 4.68 4.182935708e-02 1.782962739e-01 3.565091467e-01 4.70 3.799562424e-02 1.754489186e-01 3.642980091e-01 4.72 3.493589955e-02 1.722869258e-01 3.692285886e-01 4.74 3.252971478e-02 1.688449960e-01 3.713485164e-01 4.76 3.064361104e-02 1.651347515e-01 3.707394424e-01 4.78 2.913857583e-02 1.611670210e-01 3.675370547e-01 4.80 2.787671696e-02 1.569501540e-01 3.619272764e-01 4.82 2.672612819e-02 1.524654050e-01 3.541157685e-01 4.84 2.556907288e-02 1.476939784e-01 3.443233163e-01 4.86 2.430934781e-02 1.426259977e-01 3.327818125e-01 4.88 2.287619829e-02 1.372632173e-01 3.197294776e-01 4.90 2.313666399e-02 1.316205052e-01 3.054080283e-01 4.92 2.205262868e-02 1.257252792e-01 2.900591731e-01 4.94 2.093242323e-02 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