# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Al # implementation = 2025--Sharifi-H--Cu-Al--LAMMPS--ipr1 # composition = Al3Cu # 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 1.684885797e+02 nan nan 0.92 1.540685108e+02 nan nan 0.94 1.410414735e+02 nan nan 0.96 1.292535579e+02 nan nan 0.98 1.185585760e+02 1.774371161e+02 nan 1.00 1.088122035e+02 1.642704697e+02 nan 1.02 9.992054046e+01 1.521619059e+02 1.470529198e+02 1.04 9.180053905e+01 1.410279540e+02 1.355416111e+02 1.06 8.437688074e+01 1.307877474e+02 1.249828473e+02 1.08 7.758167056e+01 1.213644665e+02 1.153025867e+02 1.10 7.135397808e+01 1.126861933e+02 1.064298595e+02 1.12 6.563929393e+01 1.046863423e+02 9.829757556e+01 1.14 6.038895310e+01 9.730379202e+01 9.084293244e+01 1.16 5.555955648e+01 9.048280963e+01 8.400754640e+01 1.18 5.111241357e+01 8.417283742e+01 7.773740348e+01 1.20 4.701301692e+01 7.832819369e+01 7.198270130e+01 1.22 4.323056113e+01 7.290772307e+01 6.669763060e+01 1.24 3.973750813e+01 6.787442503e+01 6.184013323e+01 1.26 3.650919537e+01 6.319507714e+01 5.737165674e+01 1.28 3.352348773e+01 5.883986596e+01 5.325691795e+01 1.30 3.076046501e+01 5.478204099e+01 4.946368219e+01 1.32 2.820213739e+01 5.099758842e+01 4.596255730e+01 1.34 2.583223564e+01 4.746492962e+01 4.272680199e+01 1.36 2.363601378e+01 4.416464667e+01 3.973214565e+01 1.38 2.160007071e+01 4.107923404e+01 3.695661590e+01 1.40 1.971219637e+01 3.819287539e+01 3.438037253e+01 1.42 1.796123878e+01 3.549124479e+01 3.198554583e+01 1.44 1.633698027e+01 3.296133193e+01 2.975607819e+01 1.46 1.483002065e+01 3.059128030e+01 2.767756132e+01 1.48 1.343169473e+01 2.837025349e+01 2.573708753e+01 1.50 1.213400646e+01 2.628832993e+01 2.392311850e+01 1.52 1.092957073e+01 2.433640039e+01 2.222534799e+01 1.54 9.811562060e+00 2.250607795e+01 2.063457130e+01 1.56 8.773669121e+00 2.078961991e+01 1.914256344e+01 1.58 7.810054266e+00 1.917986022e+01 1.774196687e+01 1.60 6.915317246e+00 1.767014870e+01 1.642618539e+01 1.62 6.084462601e+00 1.625429125e+01 1.518927565e+01 1.64 5.312870101e+00 1.492650402e+01 1.402585903e+01 1.66 4.596268074e+00 1.368137868e+01 1.293105281e+01 1.68 3.930721518e+00 1.251385221e+01 1.190040956e+01 1.70 3.312612192e+00 1.141918032e+01 1.092986408e+01 1.72 2.738595903e+00 1.039291408e+01 1.001568700e+01 1.74 2.205582456e+00 9.430879142e+00 9.154444710e+00 1.76 1.710718840e+00 8.529157491e+00 8.342964824e+00 1.78 1.251373429e+00 7.684081747e+00 7.578306524e+00 1.80 8.251211671e-01 6.892223497e+00 6.857735311e+00 1.82 4.297327593e-01 6.150360520e+00 6.178701434e+00 1.84 6.325033764e-02 5.455463639e+00 5.538821583e+00 1.86 -2.760493659e-01 4.804686326e+00 4.935863331e+00 1.88 -5.897991340e-01 4.195355004e+00 4.367731875e+00 1.90 -8.795520047e-01 3.624960006e+00 3.832458765e+00 1.92 -1.146783264e+00 3.091147045e+00 3.328192245e+00 1.94 -1.392892590e+00 2.591709122e+00 2.853188933e+00 1.96 -1.619206329e+00 2.124577164e+00 2.405806646e+00 1.98 -1.826979865e+00 1.687805971e+00 1.984498105e+00 2.00 -2.017400070e+00 1.279564902e+00 1.587805391e+00 2.02 -2.191587802e+00 8.981320119e-01 1.214355023e+00 2.04 -2.350600083e+00 5.418976805e-01 8.628630825e-01 2.06 -2.495430151e+00 2.094237202e-01 5.321986031e-01 2.08 -2.627012107e+00 -1.006159812e-01 2.213228735e-01 2.10 -2.746225076e+00 -3.894821194e-01 -7.075794215e-02 2.12 -2.853895602e+00 -6.583717096e-01 -3.449930949e-01 2.14 -2.950800008e+00 -9.084196594e-01 -6.022873783e-01 2.16 -3.037666728e+00 -1.140700555e+00 -8.435014599e-01 2.18 -3.115178594e+00 -1.356230377e+00 -1.069452386e+00 2.20 -3.183975108e+00 -1.555968383e+00 -1.280914277e+00 2.22 -3.244655562e+00 -1.740819101e+00 -1.478619175e+00 2.24 -3.297781192e+00 -1.911634394e+00 -1.663258055e+00 2.26 -3.343876618e+00 -2.069217033e+00 -1.835484150e+00 2.28 -3.383433722e+00 -2.214327951e+00 -1.995921877e+00 2.30 -3.416914209e+00 -2.347689951e+00 -2.145170522e+00 2.32 -3.444751297e+00 -2.469989298e+00 -2.283804813e+00 2.34 -3.467351333e+00 -2.581877229e+00 -2.412375462e+00 2.36 -3.485139043e+00 -2.683971436e+00 -2.531409737e+00 2.38 -3.498636232e+00 -2.776857520e+00 -2.641412075e+00 2.40 -3.508334980e+00 -2.861090398e+00 -2.742864702e+00 2.42 -3.514674580e+00 -2.937195683e+00 -2.836228278e+00 2.44 -3.518046607e+00 -3.005671014e+00 -2.921942556e+00 2.46 -3.518799542e+00 -3.066987375e+00 -3.000427081e+00 2.48 -3.517243008e+00 -3.121590860e+00 -3.072082576e+00 2.50 -3.513651605e+00 -3.169918018e+00 -3.137291502e+00 2.52 -3.508268315e+00 -3.212434755e+00 -3.196417952e+00 2.54 -3.501307911e+00 -3.249586589e+00 -3.249808303e+00 2.56 -3.492959689e+00 -3.281785286e+00 -3.297791888e+00 2.58 -3.483390149e+00 -3.309411378e+00 -3.340681671e+00 2.60 -3.472745395e+00 -3.332816489e+00 -3.378774900e+00 2.62 -3.461153307e+00 -3.352325490e+00 -3.412353752e+00 2.64 -3.448725517e+00 -3.368238500e+00 -3.441685969e+00 2.66 -3.435559195e+00 -3.380832749e+00 -3.467025470e+00 2.68 -3.421738669e+00 -3.390364299e+00 -3.488612957e+00 2.70 -3.407336887e+00 -3.397069645e+00 -3.506676495e+00 2.72 -3.392416745e+00 -3.401167198e+00 -3.521432088e+00 2.74 -3.377032274e+00 -3.402858657e+00 -3.533084222e+00 2.76 -3.361229723e+00 -3.402330290e+00 -3.541826403e+00 2.78 -3.345048525e+00 -3.399754111e+00 -3.547841672e+00 2.80 -3.328522169e+00 -3.395288974e+00 -3.551303102e+00 2.82 -3.311678984e+00 -3.389081589e+00 -3.552374282e+00 2.84 -3.294542839e+00 -3.381267460e+00 -3.551209770e+00 2.86 -3.277133773e+00 -3.371971753e+00 -3.547955550e+00 2.88 -3.259471087e+00 -3.361316850e+00 -3.542759573e+00 2.90 -3.241588311e+00 -3.349461672e+00 -3.535830043e+00 2.92 -3.223520958e+00 -3.336568504e+00 -3.527385011e+00 2.94 -3.205298860e+00 -3.322782163e+00 -3.517620553e+00 2.96 -3.186946870e+00 -3.308231493e+00 -3.506712491e+00 2.98 -3.168485513e+00 -3.293030824e+00 -3.494818110e+00 3.00 -3.149931576e+00 -3.277281312e+00 -3.482077750e+00 3.02 -3.131298639e+00 -3.261072284e+00 -3.468616272e+00 3.04 -3.112597557e+00 -3.244484113e+00 -3.454544425e+00 3.06 -3.093836887e+00 -3.227588233e+00 -3.439960097e+00 3.08 -3.075023275e+00 -3.210435214e+00 -3.424949481e+00 3.10 -3.056161801e+00 -3.193081533e+00 -3.409588142e+00 3.12 -3.037256289e+00 -3.175572067e+00 -3.393942014e+00 3.14 -3.018309583e+00 -3.157945176e+00 -3.378068303e+00 3.16 -2.999323796e+00 -3.140233500e+00 -3.362016334e+00 3.18 -2.980300525e+00 -3.122464572e+00 -3.345828324e+00 3.20 -2.961241052e+00 -3.104661387e+00 -3.329540089e+00 3.22 -2.942146510e+00 -3.086842906e+00 -3.313181704e+00 3.24 -2.923018043e+00 -3.069024530e+00 -3.296778102e+00 3.26 -2.903856928e+00 -3.051218522e+00 -3.280349622e+00 3.28 -2.884664701e+00 -3.033434394e+00 -3.263912521e+00 3.30 -2.865443249e+00 -3.015679260e+00 -3.247479429e+00 3.32 -2.846194898e+00 -2.997958154e+00 -3.231059780e+00 3.34 -2.826922476e+00 -2.980274318e+00 -3.214660191e+00 3.36 -2.807629374e+00 -2.962629465e+00 -3.198284822e+00 3.38 -2.788319580e+00 -2.945024015e+00 -3.181935691e+00 3.40 -2.768997708e+00 -2.927457306e+00 -3.165612969e+00 3.42 -2.749669011e+00 -2.909927789e+00 -3.149315247e+00 3.44 -2.730339375e+00 -2.892433198e+00 -3.133039775e+00 3.46 -2.711015304e+00 -2.874970707e+00 -3.116782679e+00 3.48 -2.691703885e+00 -2.857537068e+00 -3.100462401e+00 3.50 -2.672412746e+00 -2.840128738e+00 -3.082188223e+00 3.52 -2.653149985e+00 -2.822741983e+00 -3.057281738e+00 3.54 -2.633924097e+00 -2.805372988e+00 -3.034041470e+00 3.56 -2.614743875e+00 -2.788017935e+00 -3.018257351e+00 3.58 -2.595618301e+00 -2.770673086e+00 -3.002466842e+00 3.60 -2.576556425e+00 -2.753334851e+00 -2.986661399e+00 3.62 -2.557567217e+00 -2.735999851e+00 -2.970832506e+00 3.64 -2.538659430e+00 -2.718664967e+00 -2.954971755e+00 3.66 -2.519841431e+00 -2.701327389e+00 -2.939070918e+00 3.68 -2.501121040e+00 -2.683984655e+00 -2.923122001e+00 3.70 -2.482505361e+00 -2.666634686e+00 -2.907117297e+00 3.72 -2.464000617e+00 -2.649275813e+00 -2.891049430e+00 3.74 -2.445611984e+00 -2.631906802e+00 -2.874911389e+00 3.76 -2.427343445e+00 -2.614526869e+00 -2.858696561e+00 3.78 -2.409197651e+00 -2.597135694e+00 -2.842398754e+00 3.80 -2.391175809e+00 -2.579733429e+00 -2.826012214e+00 3.82 -2.373277592e+00 -2.562320699e+00 -2.809531644e+00 3.84 -2.355501078e+00 -2.544898601e+00 -2.792952211e+00 3.86 -2.337842728e+00 -2.527468694e+00 -2.776269552e+00 3.88 -2.320297395e+00 -2.510032983e+00 -2.759479781e+00 3.90 -2.302858370e+00 -2.492593904e+00 -2.742579486e+00 3.92 -2.285517477e+00 -2.475154291e+00 -2.725565727e+00 3.94 -2.268265190e+00 -2.457717347e+00 -2.708436032e+00 3.96 -2.251090794e+00 -2.440286600e+00 -2.691188389e+00 3.98 -2.233982579e+00 -2.422865861e+00 -2.673821240e+00 4.00 -2.216928051e+00 -2.405459169e+00 -2.656333467e+00 4.02 -2.199755467e+00 -2.388070727e+00 -2.638724383e+00 4.04 -2.176730638e+00 -2.370704840e+00 -2.620993719e+00 4.06 -2.061093376e+00 -2.353365841e+00 -2.603141606e+00 4.08 -1.611099483e+00 -2.336058016e+00 -2.585168570e+00 4.10 -1.592429388e+00 -2.318785518e+00 -2.567075505e+00 4.12 -1.576503802e+00 -2.301552292e+00 -2.548863665e+00 4.14 -1.560612497e+00 -2.284361985e+00 -2.530534648e+00 4.16 -1.544757388e+00 -2.267217867e+00 -2.512090373e+00 4.18 -1.528940430e+00 -2.250122751e+00 -2.493533072e+00 4.20 -1.513163610e+00 -2.233078920e+00 -2.474865264e+00 4.22 -1.497428940e+00 -2.216088064e+00 -2.456089746e+00 4.24 -1.481738458e+00 -2.199151219e+00 -2.437209574e+00 4.26 -1.466094216e+00 -2.181936559e+00 -2.418228043e+00 4.28 -1.450498280e+00 -2.157887475e+00 -2.399148674e+00 4.30 -1.434952727e+00 -2.109474769e+00 -2.379975198e+00 4.32 -1.419459634e+00 -2.015014973e+00 -2.360711539e+00 4.34 -1.404021081e+00 -1.966072612e+00 -2.341361796e+00 4.36 -1.388639142e+00 -1.951072164e+00 -2.321930233e+00 4.38 -1.373315886e+00 -1.935982595e+00 -2.302421260e+00 4.40 -1.356151096e+00 -1.920809036e+00 -2.282839419e+00 4.42 -1.302498411e+00 -1.905556639e+00 -2.263189371e+00 4.44 -1.113524564e+00 -1.890230560e+00 -2.243475883e+00 4.46 -7.016702314e-01 -1.874835940e+00 -2.223703813e+00 4.48 -4.791821953e-01 -1.859377894e+00 -2.203878098e+00 4.50 -4.737889353e-01 -1.843861503e+00 -2.184003741e+00 4.52 -4.684219591e-01 -1.828291806e+00 -2.164085802e+00 4.54 -4.630817599e-01 -1.812673798e+00 -2.144129382e+00 4.56 -4.577688336e-01 -1.797012425e+00 -2.124139618e+00 4.58 -4.524836777e-01 -1.781312583e+00 -2.104121667e+00 4.60 -4.472267896e-01 -1.765579112e+00 -2.084080699e+00 4.62 -4.419986663e-01 -1.749816800e+00 -2.064021888e+00 4.64 -4.367998025e-01 -1.734030376e+00 -2.043950403e+00 4.66 -4.316306903e-01 -1.718224509e+00 -2.023871396e+00 4.68 -4.264918174e-01 -1.702403805e+00 -2.003789999e+00 4.70 -4.213836669e-01 -1.686572810e+00 -1.983711314e+00 4.72 -4.163067156e-01 -1.670735999e+00 -1.963640406e+00 4.74 -4.112614339e-01 -1.654897781e+00 -1.943582296e+00 4.76 -4.062482844e-01 -1.639062491e+00 -1.923541955e+00 4.78 -4.012677213e-01 -1.623234393e+00 -1.903524299e+00 4.80 -3.963201897e-01 -1.607417674e+00 -1.883534180e+00 4.82 -3.914061249e-01 -1.591616443e+00 -1.863576388e+00 4.84 -3.865259516e-01 -1.575834730e+00 -1.843655637e+00 4.86 -3.816800835e-01 -1.560076482e+00 -1.823776569e+00 4.88 -3.768689225e-01 -1.544345563e+00 -1.803943744e+00 4.90 -3.720928586e-01 -1.528645753e+00 -1.784161641e+00 4.92 -3.664771436e-01 -1.509874742e+00 -1.760645005e+00 4.94 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