# 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--ipr2 # composition = Cr3Cu # 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 -4.297838805e+02 nan nan 0.92 -4.003269938e+02 nan nan 0.94 -3.727304392e+02 nan nan 0.96 -3.479055802e+02 nan nan 0.98 -3.256187032e+02 nan nan 1.00 -3.052109654e+02 nan nan 1.02 -2.866928853e+02 -3.804132796e+02 -4.152305737e+02 1.04 -2.700201024e+02 -3.585771963e+02 -3.919143968e+02 1.06 -2.546942672e+02 -3.378526920e+02 -3.700258562e+02 1.08 -2.401067255e+02 -3.185945552e+02 -3.488058924e+02 1.10 -2.258326037e+02 -3.005968305e+02 -3.282949470e+02 1.12 -2.118595967e+02 -2.833334135e+02 -3.088278158e+02 1.14 -1.985964376e+02 -2.667123351e+02 -2.907631512e+02 1.16 -1.864880224e+02 -2.508385305e+02 -2.742016684e+02 1.18 -1.757006049e+02 -2.361017662e+02 -2.590950526e+02 1.20 -1.660324451e+02 -2.230266298e+02 -2.454624635e+02 1.22 -1.570129785e+02 -2.115448041e+02 -2.332032078e+02 1.24 -1.481227829e+02 -2.010185271e+02 -2.219059410e+02 1.26 -1.390778889e+02 -1.909726998e+02 -2.110931138e+02 1.28 -1.300093988e+02 -1.813629300e+02 -2.004710347e+02 1.30 -1.211322870e+02 -1.721643650e+02 -1.900524031e+02 1.32 -1.124114357e+02 -1.631889962e+02 -1.799460272e+02 1.34 -1.037877125e+02 -1.542850369e+02 -1.701840488e+02 1.36 -9.538384819e+01 -1.455799350e+02 -1.608644916e+02 1.38 -8.726480637e+01 -1.373367588e+02 -1.520827569e+02 1.40 -7.936154009e+01 -1.296363440e+02 -1.437638610e+02 1.42 -7.164231531e+01 -1.222658135e+02 -1.357825092e+02 1.44 -6.424656121e+01 -1.149554213e+02 -1.281727460e+02 1.46 -5.729379200e+01 -1.075787640e+02 -1.210098363e+02 1.48 -5.073768050e+01 -1.001699748e+02 -1.142413442e+02 1.50 -4.443302883e+01 -9.281873257e+01 -1.076113043e+02 1.52 -3.833560491e+01 -8.560956183e+01 -1.007897003e+02 1.54 -3.256218106e+01 -7.856801049e+01 -9.366115545e+01 1.56 -2.725561326e+01 -7.161205930e+01 -8.636308534e+01 1.58 -2.244895831e+01 -6.456563064e+01 -7.909640995e+01 1.60 -1.802559264e+01 -5.729026821e+01 -7.199671273e+01 1.62 -1.378492518e+01 -4.984310534e+01 -6.510332644e+01 1.64 -9.597191271e+00 -4.246487131e+01 -5.841527718e+01 1.66 -6.136581589e+00 -3.542409039e+01 -5.194488083e+01 1.68 -3.721271377e+00 -2.887696106e+01 -4.571516572e+01 1.70 -2.201370247e+00 -2.287291233e+01 -3.975292943e+01 1.72 -1.359090207e+00 -1.744625143e+01 -3.406815268e+01 1.74 -9.725788633e-01 -1.263104173e+01 -2.865559733e+01 1.76 -8.717585506e-01 -8.563869501e+00 -2.353928198e+01 1.78 -9.408154974e-01 -5.640266433e+00 -1.874419078e+01 1.80 -1.102305696e+00 -3.686722520e+00 -1.425961582e+01 1.82 -1.308213394e+00 -2.384910763e+00 -1.007098904e+01 1.84 -1.531513265e+00 -1.535943740e+00 -6.671843965e+00 1.86 -1.757531174e+00 -1.022520990e+00 -4.238401715e+00 1.88 -1.979289701e+00 -7.615243604e-01 -2.618862558e+00 1.90 -2.194296827e+00 -6.810160590e-01 -1.599988569e+00 1.92 -2.402796363e+00 -7.200185807e-01 -1.000672155e+00 1.94 -2.602959171e+00 -8.365876477e-01 -6.860531084e-01 1.96 -2.790759284e+00 -1.006414400e+00 -5.673672281e-01 1.98 -2.960623423e+00 -1.214587345e+00 -5.862207679e-01 2.00 -3.108361057e+00 -1.450312031e+00 -7.009024450e-01 2.02 -3.231986283e+00 -1.704337256e+00 -8.789858392e-01 2.04 -3.333240032e+00 -1.968769437e+00 -1.094216639e+00 2.06 -3.418510238e+00 -2.236265787e+00 -1.326838339e+00 2.08 -3.494484976e+00 -2.499093692e+00 -1.564677959e+00 2.10 -3.565288447e+00 -2.748868126e+00 -1.801459676e+00 2.12 -3.632300962e+00 -2.977890506e+00 -2.034103656e+00 2.14 -3.695381597e+00 -3.180210618e+00 -2.259807567e+00 2.16 -3.753326807e+00 -3.351926444e+00 -2.474765625e+00 2.18 -3.804660340e+00 -3.490717705e+00 -2.677272788e+00 2.20 -3.848022578e+00 -3.595521853e+00 -2.866118516e+00 2.22 -3.882326670e+00 -3.668841157e+00 -3.039333722e+00 2.24 -3.907092366e+00 -3.719599118e+00 -3.197841811e+00 2.26 -3.922174116e+00 -3.758002742e+00 -3.343007813e+00 2.28 -3.928131141e+00 -3.791922177e+00 -3.474810931e+00 2.30 -3.925697271e+00 -3.824610864e+00 -3.592282386e+00 2.32 -3.915504254e+00 -3.855351958e+00 -3.694656735e+00 2.34 -3.898011101e+00 -3.883309201e+00 -3.781581815e+00 2.36 -3.873530229e+00 -3.907730980e+00 -3.853188833e+00 2.38 -3.842249631e+00 -3.927774146e+00 -3.910141416e+00 2.40 -3.804398853e+00 -3.942303959e+00 -3.953475958e+00 2.42 -3.760262854e+00 -3.949980070e+00 -3.984473039e+00 2.44 -3.710391573e+00 -3.950449578e+00 -4.005094985e+00 2.46 -3.655590601e+00 -3.944916287e+00 -4.017952584e+00 2.48 -3.596756653e+00 -3.934729181e+00 -4.025286056e+00 2.50 -3.534859309e+00 -3.921134211e+00 -4.028677598e+00 2.52 -3.470617487e+00 -3.904397979e+00 -4.028152431e+00 2.54 -3.404452811e+00 -3.884228592e+00 -4.022457252e+00 2.56 -3.336797565e+00 -3.860475877e+00 -4.010553847e+00 2.58 -3.268005737e+00 -3.833114892e+00 -3.992647425e+00 2.60 -3.198480703e+00 -3.802426112e+00 -3.969301726e+00 2.62 -3.128690235e+00 -3.768802442e+00 -3.941094022e+00 2.64 -3.059010667e+00 -3.732661851e+00 -3.908579148e+00 2.66 -2.989159327e+00 -3.694410079e+00 -3.872397090e+00 2.68 -2.918327252e+00 -3.654258763e+00 -3.833201218e+00 2.70 -2.845801187e+00 -3.612298003e+00 -3.791622773e+00 2.72 -2.771077841e+00 -3.568574312e+00 -3.748227516e+00 2.74 -2.693846968e+00 -3.523080881e+00 -3.703462507e+00 2.76 -2.613910493e+00 -3.475765582e+00 -3.657559576e+00 2.78 -2.531242810e+00 -3.426632906e+00 -3.610411155e+00 2.80 -2.446251121e+00 -3.375754448e+00 -3.561921716e+00 2.82 -2.359773909e+00 -3.323162134e+00 -3.512064763e+00 2.84 -2.273138473e+00 -3.268817924e+00 -3.460860014e+00 2.86 -2.188010101e+00 -3.212668906e+00 -3.408410049e+00 2.88 -2.105715802e+00 -3.154710742e+00 -3.354895256e+00 2.90 -2.027106898e+00 -3.094979051e+00 -3.300555037e+00 2.92 -1.952543968e+00 -3.033411804e+00 -3.245661448e+00 2.94 -1.881952986e+00 -2.969682754e+00 -3.190464764e+00 2.96 -1.814907958e+00 -2.903293524e+00 -3.135216904e+00 2.98 -1.750836523e+00 -2.833951983e+00 -3.080082132e+00 3.00 -1.689102652e+00 -2.761597893e+00 -3.025009516e+00 3.02 -1.629076279e+00 -2.686374282e+00 -2.970007076e+00 3.04 -1.570265503e+00 -2.608595009e+00 -2.915105922e+00 3.06 -1.512424495e+00 -2.528745931e+00 -2.860134089e+00 3.08 -1.455534479e+00 -2.447484758e+00 -2.804513193e+00 3.10 -1.399694656e+00 -2.365448886e+00 -2.747266969e+00 3.12 -1.345021120e+00 -2.283332339e+00 -2.687241906e+00 3.14 -1.291510605e+00 -2.202040190e+00 -2.623217298e+00 3.16 -1.239131680e+00 -2.122632625e+00 -2.554079484e+00 3.18 -1.187940568e+00 -2.045994819e+00 -2.479041770e+00 3.20 -1.138042125e+00 -1.972696321e+00 -2.397763847e+00 3.22 -1.089555781e+00 -1.902931624e+00 -2.310609356e+00 3.24 -1.042629504e+00 -1.836587362e+00 -2.218948663e+00 3.26 -9.974527183e-01 -1.773277979e+00 -2.124597635e+00 3.28 -9.541514018e-01 -1.712400848e+00 -2.029303407e+00 3.30 -9.127389543e-01 -1.653221283e+00 -1.934544529e+00 3.32 -8.731130913e-01 -1.594983177e+00 -1.841454692e+00 3.34 -8.350744860e-01 -1.537028877e+00 -1.750833981e+00 3.36 -7.983594006e-01 -1.478943001e+00 -1.663219904e+00 3.38 -7.627150742e-01 -1.420606156e+00 -1.578990341e+00 3.40 -7.279274781e-01 -1.362162382e+00 -1.498406461e+00 3.42 -6.937828268e-01 -1.303992694e+00 -1.421652089e+00 3.44 -6.600977718e-01 -1.246569420e+00 -1.348853754e+00 3.46 -6.267754713e-01 -1.190351314e+00 -1.280091649e+00 3.48 -5.938225159e-01 -1.135712865e+00 -1.215407759e+00 3.50 -5.612664971e-01 -1.082906511e+00 -1.154812743e+00 3.52 -5.291343092e-01 -1.032055648e+00 -1.098291203e+00 3.54 -4.974521784e-01 -9.831710630e-01 -1.045805529e+00 3.56 -4.662456470e-01 -9.361817927e-01 -9.972979937e-01 3.58 -4.355392653e-01 -8.909847276e-01 -9.526918566e-01 3.60 -4.053568397e-01 -8.474834188e-01 -9.118905921e-01 3.62 -3.757210744e-01 -8.055783949e-01 -8.747757045e-01 3.64 -3.466522316e-01 -7.651713336e-01 -8.411973155e-01 3.66 -3.181646660e-01 -7.261936184e-01 -8.109551850e-01 3.68 -2.902703867e-01 -6.885857478e-01 -7.838066470e-01 3.70 -2.629801542e-01 -6.522857693e-01 -7.594595238e-01 3.72 -2.362968659e-01 -6.172294447e-01 -7.375561432e-01 3.74 -2.102186759e-01 -5.833505092e-01 -7.176808982e-01 3.76 -1.849173898e-01 -5.505812915e-01 -6.993662578e-01 3.78 -1.607714722e-01 -5.188525462e-01 -6.821045168e-01 3.80 -1.380982864e-01 -4.880940400e-01 -6.653699487e-01 3.82 -1.171344388e-01 -4.582345062e-01 -6.486501380e-01 3.84 -9.804173672e-02 -4.292021478e-01 -6.314826542e-01 3.86 -8.091416434e-02 -4.009314839e-01 -6.134991937e-01 3.88 -6.562868641e-02 -3.734161163e-01 -5.945296778e-01 3.90 -5.144904602e-02 -3.466783749e-01 -5.745610062e-01 3.92 -3.757223069e-02 -3.207392436e-01 -5.536811153e-01 3.94 -2.330223254e-02 -2.956109977e-01 -5.320643371e-01 3.96 -8.062324483e-03 -2.712926658e-01 -5.099215514e-01 3.98 8.600684310e-03 -2.477804560e-01 -4.874606419e-01 4.00 2.701421385e-02 -2.248435102e-01 -4.648613342e-01 4.02 4.737867139e-02 -2.012329500e-01 -4.422599139e-01 4.04 6.976822289e-02 -1.757614949e-01 -4.197445395e-01 4.06 9.413538376e-02 -1.475369373e-01 -3.973572022e-01 4.08 1.203232535e-01 -1.159330707e-01 -3.751015878e-01 4.10 1.480838012e-01 -8.058661024e-02 -3.529531652e-01 4.12 1.770923633e-01 -4.139085018e-02 -3.308726292e-01 4.14 2.069633405e-01 1.527733293e-03 -3.088256118e-01 4.16 2.372672991e-01 4.783181458e-02 -2.867814977e-01 4.18 2.675484536e-01 9.697216681e-02 -2.647103933e-01 4.20 2.973435970e-01 1.482016122e-01 -2.427074738e-01 4.22 3.261945931e-01 2.005690449e-01 -2.210605343e-01 4.24 3.536764634e-01 2.529762014e-01 -2.000332272e-01 4.26 3.794159065e-01 3.042271254e-01 -1.798354033e-01 4.28 4.030540674e-01 3.530655897e-01 -1.606266301e-01 4.30 4.242727902e-01 3.983112222e-01 -1.425190796e-01 4.32 4.428427385e-01 4.389999420e-01 -1.255813318e-01 4.34 4.586294312e-01 4.742336880e-01 -1.098425392e-01 4.36 4.715846964e-01 5.032063985e-01 -9.504598420e-02 4.38 4.817237587e-01 5.252556753e-01 -7.999596510e-02 4.40 4.890924183e-01 5.399175842e-01 -6.342430899e-02 4.42 4.937249232e-01 5.469762635e-01 -4.424108038e-02 4.44 4.956050502e-01 5.465085786e-01 -2.155157979e-02 4.46 4.946370966e-01 5.389154352e-01 5.330051997e-03 4.48 4.906405211e-01 5.249363596e-01 3.687114978e-02 4.50 4.833663995e-01 5.056390155e-01 7.331509418e-02 4.52 4.725370966e-01 4.823957437e-01 1.146796117e-01 4.54 4.578888082e-01 4.569358683e-01 1.607741225e-01 4.56 4.392680289e-01 4.311559303e-01 2.112721318e-01 4.58 4.166902784e-01 4.068416483e-01 2.657194953e-01 4.60 3.903837116e-01 3.855157028e-01 3.235443172e-01 4.62 3.608111852e-01 3.683292269e-01 3.840758232e-01 4.64 3.286614367e-01 3.559981898e-01 4.465620271e-01 4.66 2.948148361e-01 3.487964869e-01 5.101875959e-01 4.68 2.603262287e-01 3.466018284e-01 5.740901610e-01 4.70 2.263302569e-01 3.489817211e-01 6.373770468e-01 4.72 1.938561357e-01 3.552937380e-01 6.991404621e-01 4.74 1.637396082e-01 3.647784530e-01 7.584733812e-01 4.76 1.365724750e-01 3.766289769e-01 8.144829267e-01 4.78 1.126944160e-01 3.900483799e-01 8.663268227e-01 4.80 9.219582085e-02 4.042679107e-01 9.132264544e-01 4.82 7.495883482e-02 4.185375954e-01 9.544573623e-01 4.84 6.072257291e-02 4.321437112e-01 9.893614092e-01 4.86 4.915110120e-02 4.444227019e-01 1.017357126e+00 4.88 3.988857168e-02 4.547751766e-01 1.037951283e+00 4.90 3.259399518e-02 4.626821021e-01 1.050750381e+00 4.92 2.695552574e-02 4.677167923e-01 1.055469844e+00 4.94 2.269139813e-02 4.695544113e-01 1.051942881e+00 4.96 1.954580454e-02 4.679756325e-01 1.040132337e+00 4.98 1.728508650e-02 4.628643873e-01 1.020136106e+00 5.00 1.569700744e-02 4.542023888e-01 9.921948495e-01 5.02 1.459288598e-02 4.420617483e-01 9.566988339e-01 5.04 1.381109026e-02 4.265957715e-01 9.141905204e-01 5.06 1.321996313e-02 4.080247596e-01 8.653644399e-01 5.08 1.271889621e-02 3.866395158e-01 8.110643312e-01 5.10 1.223768892e-02 3.628057122e-01 7.522754896e-01 5.12 1.173369525e-02 3.369598611e-01 6.901088908e-01 5.14 1.118789733e-02 3.096014831e-01 6.257779373e-01 5.16 1.059976435e-02 2.812813145e-01 5.605677723e-01 5.18 9.981917407e-03 2.525839934e-01 4.957933641e-01 5.20 9.354329184e-03 2.241052491e-01 4.327479188e-01 5.22 8.730786919e-03 1.964300572e-01 3.726522529e-01 5.24 8.114416731e-03 1.701178764e-01 3.166157540e-01 5.26 7.507420109e-03 1.456408993e-01 2.655256489e-01 5.28 6.911881585e-03 1.233468790e-01 2.199801515e-01 5.30 6.329804892e-03 1.034443371e-01 1.802637194e-01 5.32 5.763099089e-03 8.599942271e-02 1.463474854e-01 5.34 5.213610637e-03 7.094813579e-02 1.179225393e-01 5.36 4.683146633e-03 5.812208670e-02 9.446191653e-02 5.38 4.173528068e-03 4.728471330e-02 7.530429546e-02 5.40 3.686633018e-03 3.817068577e-02 5.974380679e-02 5.42 3.224429410e-03 3.052130923e-02 4.711028525e-02 5.44 2.789044991e-03 2.410975362e-02 3.682639581e-02 5.46 2.382766838e-03 1.875235454e-02 2.843364854e-02 5.48 2.008084939e-03 1.430778361e-02 2.159052761e-02 5.50 1.667655341e-03 1.066738950e-02 1.605020754e-02 5.52 1.364280889e-03 7.743009749e-03 1.163102776e-02 5.54 1.099311197e-03 5.452348856e-03 8.183185905e-03 5.56 8.705927176e-04 3.707245100e-03 5.561818753e-03 5.58 6.755816266e-04 2.419961179e-03 3.629959973e-03 5.60 5.117063556e-04 1.505145956e-03 2.257597223e-03 5.62 3.764110850e-04 8.828409353e-04 1.324169013e-03 5.64 2.671020307e-04 4.810745735e-04 7.215608272e-04 5.66 1.811285997e-04 2.379275969e-04 3.568674266e-04 5.68 1.157987872e-04 1.026418608e-04 1.539531520e-04 5.70 6.836506984e-05 3.569226409e-05 5.353519921e-05 5.72 3.601517224e-05 7.975741635e-06 1.196279501e-05 5.74 1.589894118e-05 -2.594391414e-07 -3.893016195e-07 5.76 5.146625397e-06 -9.567589108e-07 -1.435151856e-06 5.78 8.244371416e-07 -2.347840313e-07 -3.521763659e-07 5.80 3.060769077e-09 -1.901906486e-09 -2.852859729e-09 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00