# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Al # implementation = 2020--Farkas-D--Fe-Ni-Cr-Co-Al--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 -4.105922385e+02 nan nan 0.92 -3.827235680e+02 nan nan 0.94 -3.573536457e+02 nan nan 0.96 -3.342555506e+02 nan nan 0.98 -3.130399520e+02 nan nan 1.00 -2.934681589e+02 nan nan 1.02 -2.754404958e+02 -3.641791280e+02 -3.980752650e+02 1.04 -2.588555401e+02 -3.426913186e+02 -3.746996368e+02 1.06 -2.435360602e+02 -3.226908933e+02 -3.531331603e+02 1.08 -2.293135297e+02 -3.042356959e+02 -3.329737503e+02 1.10 -2.160399532e+02 -2.871509222e+02 -3.140153906e+02 1.12 -2.035668649e+02 -2.711500773e+02 -2.962097929e+02 1.14 -1.918285892e+02 -2.560837407e+02 -2.795742065e+02 1.16 -1.808150151e+02 -2.418657870e+02 -2.640964920e+02 1.18 -1.704825834e+02 -2.285146164e+02 -2.497499478e+02 1.20 -1.606809751e+02 -2.161206693e+02 -2.365352198e+02 1.22 -1.512703210e+02 -2.046712483e+02 -2.243958685e+02 1.24 -1.421611539e+02 -1.940364792e+02 -2.131141695e+02 1.26 -1.332946632e+02 -1.840623028e+02 -2.024659887e+02 1.28 -1.246614917e+02 -1.746535302e+02 -1.922709344e+02 1.30 -1.162555945e+02 -1.657010194e+02 -1.824661533e+02 1.32 -1.080350829e+02 -1.571007466e+02 -1.730635734e+02 1.34 -9.997047456e+01 -1.487723783e+02 -1.640492474e+02 1.36 -9.208572641e+01 -1.406831176e+02 -1.554122181e+02 1.38 -8.439683188e+01 -1.328425325e+02 -1.471568052e+02 1.40 -7.690573865e+01 -1.252488903e+02 -1.392445656e+02 1.42 -6.962372550e+01 -1.178322160e+02 -1.316183468e+02 1.44 -6.259151594e+01 -1.104977159e+02 -1.242371147e+02 1.46 -5.583186882e+01 -1.031871653e+02 -1.170336123e+02 1.48 -4.932678234e+01 -9.588680711e+01 -1.099654624e+02 1.50 -4.304257408e+01 -8.860296399e+01 -1.029850224e+02 1.52 -3.697997147e+01 -8.135795405e+01 -9.602899715e+01 1.54 -3.118443784e+01 -7.417642221e+01 -8.907599015e+01 1.56 -2.570733704e+01 -6.707995172e+01 -8.216408230e+01 1.58 -2.057993848e+01 -6.008208792e+01 -7.535290588e+01 1.60 -1.580588083e+01 -5.320345488e+01 -6.869757835e+01 1.62 -1.137042509e+01 -4.649560346e+01 -6.222575618e+01 1.64 -7.678542523e+00 -4.004642992e+01 -5.594415677e+01 1.66 -5.038737817e+00 -3.395565621e+01 -4.985877453e+01 1.68 -3.318872796e+00 -2.828381644e+01 -4.398510625e+01 1.70 -2.268348453e+00 -2.304375449e+01 -3.834366875e+01 1.72 -1.686404393e+00 -1.823813109e+01 -3.294854136e+01 1.74 -1.420569629e+00 -1.386408593e+01 -2.780821548e+01 1.76 -1.363415925e+00 -9.929602877e+00 -2.294814737e+01 1.78 -1.438526091e+00 -6.865337663e+00 -1.839458219e+01 1.80 -1.589935073e+00 -4.734123471e+00 -1.415723428e+01 1.82 -1.779243062e+00 -3.281239050e+00 -1.024242136e+01 1.84 -1.982361223e+00 -2.323278723e+00 -7.026864965e+00 1.86 -2.184864045e+00 -1.728767793e+00 -4.762538169e+00 1.88 -2.382521497e+00 -1.400227139e+00 -3.216199629e+00 1.90 -2.573208322e+00 -1.261910726e+00 -2.200466959e+00 1.92 -2.753689887e+00 -1.255399870e+00 -1.569730000e+00 1.94 -2.920340813e+00 -1.339660690e+00 -1.214730367e+00 1.96 -3.070665518e+00 -1.485566918e+00 -1.055828032e+00 1.98 -3.203289067e+00 -1.670414131e+00 -1.033915454e+00 2.00 -3.320321807e+00 -1.877762277e+00 -1.106621576e+00 2.02 -3.426093853e+00 -2.095606221e+00 -1.243956414e+00 2.04 -3.524980536e+00 -2.315767693e+00 -1.424964078e+00 2.06 -3.618872405e+00 -2.532897563e+00 -1.634622608e+00 2.08 -3.707239766e+00 -2.742796471e+00 -1.860611638e+00 2.10 -3.789184180e+00 -2.941449983e+00 -2.091269214e+00 2.12 -3.863996118e+00 -3.125697771e+00 -2.317493692e+00 2.14 -3.931673484e+00 -3.293826681e+00 -2.533323627e+00 2.16 -3.992104099e+00 -3.445124221e+00 -2.737793460e+00 2.18 -4.044777028e+00 -3.579484033e+00 -2.931645632e+00 2.20 -4.088538358e+00 -3.696288706e+00 -3.114750603e+00 2.22 -4.122147134e+00 -3.796563719e+00 -3.286149757e+00 2.24 -4.144764707e+00 -3.883134112e+00 -3.445779654e+00 2.26 -4.156154741e+00 -3.956962970e+00 -3.592426882e+00 2.28 -4.156680094e+00 -4.018564625e+00 -3.724500070e+00 2.30 -4.147049394e+00 -4.068746090e+00 -3.840744661e+00 2.32 -4.128138733e+00 -4.108869537e+00 -3.940520472e+00 2.34 -4.100939788e+00 -4.140164369e+00 -4.023913158e+00 2.36 -4.066525304e+00 -4.163641040e+00 -4.091714002e+00 2.38 -4.025852772e+00 -4.180074143e+00 -4.145389642e+00 2.40 -3.979565981e+00 -4.189765871e+00 -4.186721580e+00 2.42 -3.927785839e+00 -4.192699568e+00 -4.217362699e+00 2.44 -3.870709550e+00 -4.188968012e+00 -4.239025773e+00 2.46 -3.808752720e+00 -4.179261209e+00 -4.253279491e+00 2.48 -3.742412893e+00 -4.164926940e+00 -4.260779841e+00 2.50 -3.672453134e+00 -4.147301635e+00 -4.261936742e+00 2.52 -3.599650464e+00 -4.126687268e+00 -4.256616547e+00 2.54 -3.524712659e+00 -4.102707742e+00 -4.244347986e+00 2.56 -3.448299827e+00 -4.074902936e+00 -4.225249779e+00 2.58 -3.370758578e+00 -4.042899765e+00 -4.199871916e+00 2.60 -3.292469482e+00 -4.006666759e+00 -4.169042978e+00 2.62 -3.213891217e+00 -3.966317043e+00 -4.133604257e+00 2.64 -3.135411435e+00 -3.922027720e+00 -4.094171654e+00 2.66 -3.057028295e+00 -3.874052751e+00 -4.051460167e+00 2.68 -2.978602271e+00 -3.822568334e+00 -4.006266774e+00 2.70 -2.900063902e+00 -3.767742547e+00 -3.959397195e+00 2.72 -2.821103747e+00 -3.709788199e+00 -3.911553996e+00 2.74 -2.741294703e+00 -3.648911425e+00 -3.863210798e+00 2.76 -2.660144129e+00 -3.585299752e+00 -3.814466305e+00 2.78 -2.577112669e+00 -3.519303681e+00 -3.764906462e+00 2.80 -2.491913682e+00 -3.451534756e+00 -3.714132617e+00 2.82 -2.404481797e+00 -3.382652885e+00 -3.661796477e+00 2.84 -2.314955712e+00 -3.313210084e+00 -3.607622354e+00 2.86 -2.223591809e+00 -3.243525693e+00 -3.551461894e+00 2.88 -2.130763813e+00 -3.173607587e+00 -3.493292498e+00 2.90 -2.037160114e+00 -3.103251286e+00 -3.433188798e+00 2.92 -1.943552147e+00 -3.032178219e+00 -3.371263214e+00 2.94 -1.850490868e+00 -2.959842963e+00 -3.307529773e+00 2.96 -1.758395587e+00 -2.885705147e+00 -3.241994660e+00 2.98 -1.667749730e+00 -2.809273833e+00 -3.174749084e+00 3.00 -1.579070713e+00 -2.730304030e+00 -3.106021041e+00 3.02 -1.492807629e+00 -2.648826202e+00 -3.035793893e+00 3.04 -1.409326624e+00 -2.565085001e+00 -2.963811009e+00 3.06 -1.328901182e+00 -2.479322353e+00 -2.889866247e+00 3.08 -1.251727989e+00 -2.391636073e+00 -2.813801423e+00 3.10 -1.178010367e+00 -2.302084865e+00 -2.735373887e+00 3.12 -1.107899676e+00 -2.210914301e+00 -2.654387520e+00 3.14 -1.041400126e+00 -2.118766133e+00 -2.570635258e+00 3.16 -9.784542219e-01 -2.026376963e+00 -2.483854073e+00 3.18 -9.190182509e-01 -1.934591503e+00 -2.393739248e+00 3.20 -8.630047183e-01 -1.844173189e+00 -2.299973332e+00 3.22 -8.103163749e-01 -1.755674441e+00 -2.202802588e+00 3.24 -7.608408135e-01 -1.669513748e+00 -2.103103010e+00 3.26 -7.143972616e-01 -1.585988727e+00 -2.001865132e+00 3.28 -6.707822169e-01 -1.505294826e+00 -1.900270417e+00 3.30 -6.297996144e-01 -1.427538324e+00 -1.799446715e+00 3.32 -5.912640288e-01 -1.352744747e+00 -1.700407431e+00 3.34 -5.549992645e-01 -1.280866755e+00 -1.604043768e+00 3.36 -5.208353870e-01 -1.211823231e+00 -1.511121368e+00 3.38 -4.885920157e-01 -1.145508446e+00 -1.422150746e+00 3.40 -4.580753877e-01 -1.081820040e+00 -1.337350699e+00 3.42 -4.290940056e-01 -1.020762552e+00 -1.256838350e+00 3.44 -4.014918562e-01 -9.623429422e-01 -1.180661753e+00 3.46 -3.751848387e-01 -9.065545386e-01 -1.108813007e+00 3.48 -3.501269080e-01 -8.533835089e-01 -1.041239084e+00 3.50 -3.262777966e-01 -8.028125309e-01 -9.778511563e-01 3.52 -3.035958790e-01 -7.548223225e-01 -9.185324940e-01 3.54 -2.820386753e-01 -7.093921643e-01 -8.631451587e-01 3.56 -2.615629815e-01 -6.664988425e-01 -8.115353550e-01 3.58 -2.421248835e-01 -6.260755689e-01 -7.635382315e-01 3.60 -2.236802194e-01 -5.879831725e-01 -7.189815524e-01 3.62 -2.061844382e-01 -5.520735008e-01 -6.776890841e-01 3.64 -1.895914976e-01 -5.182014944e-01 -6.394745227e-01 3.66 -1.738505061e-01 -4.862541528e-01 -6.041227578e-01 3.68 -1.589095718e-01 -4.561317261e-01 -5.714151886e-01 3.70 -1.447169433e-01 -4.277358538e-01 -5.411413743e-01 3.72 -1.312153134e-01 -4.009699976e-01 -5.131067833e-01 3.74 -1.183307900e-01 -3.757397206e-01 -4.871257043e-01 3.76 -1.055897651e-01 -3.519532940e-01 -4.630200806e-01 3.78 -9.223447937e-02 -3.295214845e-01 -4.406189496e-01 3.80 -7.772065113e-02 -3.083580841e-01 -4.197574361e-01 3.82 -6.170244023e-02 -2.883796815e-01 -4.002741903e-01 3.84 -4.400489066e-02 -2.695059389e-01 -3.820088202e-01 3.86 -2.459989907e-02 -2.516623208e-01 -3.648037252e-01 3.88 -3.593149183e-03 -2.348018225e-01 -3.485409020e-01 3.90 1.880704115e-02 -2.188899785e-01 -3.331159236e-01 3.92 4.233445655e-02 -2.038920372e-01 -3.184267616e-01 3.94 6.665527297e-02 -1.897702486e-01 -3.044107926e-01 3.96 9.137914556e-02 -1.764828387e-01 -2.910139045e-01 3.98 1.160745626e-01 -1.639877784e-01 -2.781805960e-01 4.00 1.402845675e-01 -1.522442693e-01 -2.658564544e-01 4.02 1.635410658e-01 -1.411246361e-01 -2.539895082e-01 4.04 1.853795546e-01 -1.302635920e-01 -2.425310589e-01 4.06 2.053650599e-01 -1.193463471e-01 -2.314353796e-01 4.08 2.231784920e-01 -1.081280347e-01 -2.206593969e-01 4.10 2.385912728e-01 -9.638995037e-02 -2.101617332e-01 4.12 2.514385879e-01 -8.400140566e-02 -1.998986666e-01 4.14 2.616193857e-01 -7.089880736e-02 -1.898022735e-01 4.16 2.690924643e-01 -5.706144396e-02 -1.797936609e-01 4.18 2.738733861e-01 -4.251968312e-02 -1.697909986e-01 4.20 2.760270246e-01 -2.734948207e-02 -1.595107260e-01 4.22 2.756549788e-01 -1.165451819e-02 -1.484876234e-01 4.24 2.728943287e-01 4.439337718e-03 -1.363587434e-01 4.26 2.679143992e-01 2.077758519e-02 -1.228580652e-01 4.28 2.609186301e-01 3.718508248e-02 -1.077884143e-01 4.30 2.521404025e-01 5.347502738e-02 -9.088173707e-02 4.32 2.418263876e-01 6.945498974e-02 -7.194038640e-02 4.34 2.302311995e-01 8.493429342e-02 -5.089197709e-02 4.36 2.176101836e-01 9.972958859e-02 -2.777743424e-02 4.38 2.042155426e-01 1.136692969e-01 -2.739065669e-03 4.40 1.902919798e-01 1.265989725e-01 2.399214464e-02 4.42 1.760745811e-01 1.383854050e-01 5.210918616e-02 4.44 1.617881432e-01 1.489200562e-01 8.124180456e-02 4.46 1.476453166e-01 1.581224058e-01 1.109697087e-01 4.48 1.338456557e-01 1.659424984e-01 1.408349592e-01 4.50 1.205754912e-01 1.723624849e-01 1.703551061e-01 4.52 1.080009742e-01 1.773935482e-01 1.990352787e-01 4.54 9.624479617e-02 1.810591824e-01 2.264008786e-01 4.56 8.540014946e-02 1.834415339e-01 2.520770442e-01 4.58 7.553917001e-02 1.846601735e-01 2.757506424e-01 4.60 6.671084688e-02 1.848539081e-01 2.971560197e-01 4.62 5.894001955e-02 1.841720915e-01 3.160776309e-01 4.64 5.222627013e-02 1.827630520e-01 3.323482849e-01 4.66 4.654282881e-02 1.807650679e-01 3.458496777e-01 4.68 4.182934153e-02 1.782962575e-01 3.565091196e-01 4.70 3.799560792e-02 1.754490738e-01 3.642982352e-01 4.72 3.493592688e-02 1.722868589e-01 3.692283903e-01 4.74 3.252972652e-02 1.688449912e-01 3.713484589e-01 4.76 3.064799257e-02 1.651347783e-01 3.707394313e-01 4.78 2.917063794e-02 1.611671519e-01 3.675373746e-01 4.80 2.798162655e-02 1.569501597e-01 3.619274173e-01 4.82 2.697089415e-02 1.524654072e-01 3.541157259e-01 4.84 2.604262216e-02 1.476939569e-01 3.443232310e-01 4.86 2.512223442e-02 1.426260128e-01 3.327817489e-01 4.88 2.416089291e-02 1.372631513e-01 3.197293580e-01 4.90 2.313667625e-02 1.316205267e-01 3.054080350e-01 4.92 2.205263735e-02 1.257252267e-01 2.900591257e-01 4.94 2.093240801e-02 1.196149601e-01 2.739199025e-01 4.96 1.980151051e-02 1.133355410e-01 2.572222895e-01 4.98 1.867313650e-02 1.069375045e-01 2.401888749e-01 5.00 1.756329660e-02 1.004729897e-01 2.230307508e-01 5.02 1.648881335e-02 9.399357962e-02 2.059468814e-01 5.04 1.546433298e-02 8.754889060e-02 1.891212300e-01 5.06 1.450058543e-02 8.119601762e-02 1.727215086e-01 5.08 1.360335080e-02 7.499391619e-02 1.568981667e-01 5.10 1.277333202e-02 6.899543825e-02 1.417832994e-01 5.12 1.200632956e-02 6.324675415e-02 1.274894222e-01 5.14 1.129396610e-02 5.778686861e-02 1.141082971e-01 5.16 1.062433086e-02 5.264742048e-02 1.017104912e-01 5.18 9.983038022e-03 4.785207268e-02 9.034402606e-02 5.20 9.354329184e-03 4.341625080e-02 8.003392005e-02 5.22 8.730786919e-03 3.934556253e-02 7.077862269e-02 5.24 8.114416731e-03 3.563143584e-02 6.254042134e-02 5.26 7.507420109e-03 3.225758296e-02 5.526280120e-02 5.28 6.911881585e-03 2.920225044e-02 4.887622175e-02 5.30 6.329804892e-03 2.643848399e-02 4.329871744e-02 5.32 5.763099089e-03 2.393463121e-02 3.843728788e-02 5.34 5.213610637e-03 2.165580844e-02 3.419149369e-02 5.36 4.683146633e-03 1.956578567e-02 3.045816513e-02 5.38 4.173528068e-03 1.762951208e-02 2.713744468e-02 5.40 3.686633018e-03 1.581573102e-02 2.413893233e-02 5.42 3.224429410e-03 1.409944522e-02 2.138723477e-02 5.44 2.789044991e-03 1.246396614e-02 1.882621414e-02 5.46 2.382766838e-03 1.090197786e-02 1.642090121e-02 5.48 2.008084939e-03 9.415922901e-03 1.415762009e-02 5.50 1.667655341e-03 8.017243199e-03 1.204181451e-02 5.52 1.364280889e-03 6.725043077e-03 1.009474765e-02 5.54 1.099311197e-03 5.555163543e-03 8.335830063e-03 5.56 8.705927176e-04 4.506540112e-03 6.761074329e-03 5.58 6.755816266e-04 3.577770959e-03 5.367150608e-03 5.60 5.117063556e-04 2.768003912e-03 4.152189435e-03 5.62 3.764110850e-04 2.075959900e-03 3.114004100e-03 5.64 2.671020307e-04 1.498923860e-03 2.248406667e-03 5.66 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