# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Kim-Y-K-Jung-W-S-Lee-B-J--Ni-Al-Co # implementation = 2015--Kim-Y-K--Ni-Al-Co--LAMMPS--ipr1 # composition = Al3Co # 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 2.994822775e+02 nan nan 0.86 2.803629102e+02 nan nan 0.88 2.623852925e+02 nan nan 0.90 2.454836591e+02 nan nan 0.92 2.295959451e+02 2.804386608e+02 nan 0.94 2.146635815e+02 2.637525214e+02 2.947529413e+02 0.96 2.006313009e+02 2.479944337e+02 2.778091409e+02 0.98 1.874469549e+02 2.331144993e+02 2.617766527e+02 1.00 1.750613406e+02 2.190654504e+02 2.466080982e+02 1.02 1.634280376e+02 2.058025122e+02 2.322585049e+02 1.04 1.525032529e+02 1.932832734e+02 2.186851868e+02 1.06 1.422456753e+02 1.814675628e+02 2.058476313e+02 1.08 1.326163371e+02 1.703173328e+02 1.937073914e+02 1.10 1.235784836e+02 1.597965481e+02 1.822279829e+02 1.12 1.150974500e+02 1.498710815e+02 1.713747861e+02 1.14 1.071405451e+02 1.405086133e+02 1.611149530e+02 1.16 9.967694053e+01 1.316785378e+02 1.514173183e+02 1.18 9.267756743e+01 1.233518731e+02 1.422523150e+02 1.20 8.611501777e+01 1.155011767e+02 1.335918942e+02 1.22 7.996345157e+01 1.081004645e+02 1.254094486e+02 1.24 7.419850910e+01 1.011251349e+02 1.176797396e+02 1.26 6.879722798e+01 9.455189611e+01 1.103788285e+02 1.28 6.373796481e+01 8.835869780e+01 1.034840107e+02 1.30 5.900032112e+01 8.252466582e+01 9.697375302e+01 1.32 5.456507345e+01 7.703004062e+01 9.082763468e+01 1.34 5.041410727e+01 7.185611872e+01 8.502629063e+01 1.36 4.653035454e+01 6.698519731e+01 7.955135806e+01 1.38 4.289773472e+01 6.240052163e+01 7.438542538e+01 1.40 3.950109911e+01 5.808623514e+01 6.951198386e+01 1.42 3.632617819e+01 5.402733231e+01 6.491538167e+01 1.44 3.335953191e+01 5.020961377e+01 6.058078017e+01 1.46 3.058850275e+01 4.661964387e+01 5.649411245e+01 1.48 2.800117138e+01 4.324471044e+01 5.264204392e+01 1.50 2.558631480e+01 4.007278661e+01 4.901193490e+01 1.52 2.333336673e+01 3.709249462e+01 4.559180511e+01 1.54 2.123238032e+01 3.429307158e+01 4.237029988e+01 1.56 1.927399283e+01 3.166433691e+01 3.933665814e+01 1.58 1.744939240e+01 2.919666157e+01 3.648068201e+01 1.60 1.575028649e+01 2.688093883e+01 3.379270790e+01 1.62 1.416887231e+01 2.470855662e+01 3.126357908e+01 1.64 1.269780870e+01 2.267137128e+01 2.888461966e+01 1.66 1.133018972e+01 2.076168270e+01 2.664760989e+01 1.68 1.005951963e+01 1.897221074e+01 2.454476265e+01 1.70 8.879689360e+00 1.729607293e+01 2.256870123e+01 1.72 7.784954202e+00 1.572676327e+01 2.071243816e+01 1.74 6.769912836e+00 1.425813222e+01 1.896935514e+01 1.76 5.829487492e+00 1.288436765e+01 1.733318401e+01 1.78 4.958905249e+00 1.159997684e+01 1.579798865e+01 1.80 4.153680371e+00 1.039976943e+01 1.435814784e+01 1.82 3.409597662e+00 9.278841268e+00 1.300833896e+01 1.84 2.722696733e+00 8.232559029e+00 1.174352252e+01 1.86 2.089257192e+00 7.256545754e+00 1.055892755e+01 1.88 1.505784639e+00 6.346667073e+00 9.450037600e+00 1.90 9.689974843e-01 5.499018185e+00 8.412577577e+00 1.92 4.758144933e-01 4.709911511e+00 7.442501202e+00 1.94 2.334305424e-02 3.975864999e+00 6.535979106e+00 1.96 -3.911318966e-01 3.293591056e+00 5.689387544e+00 1.98 -7.701583108e-01 2.659986045e+00 4.899297686e+00 2.00 -1.116126874e+00 2.072120358e+00 4.162465450e+00 2.02 -1.431280285e+00 1.527228996e+00 3.475821863e+00 2.04 -1.717722008e+00 1.022702657e+00 2.836463908e+00 2.06 -1.977424519e+00 5.560792930e-01 2.241645846e+00 2.08 -2.212237080e+00 1.250361152e-01 1.688770979e+00 2.10 -2.423893071e+00 -2.726179799e-01 1.175383838e+00 2.12 -2.614016894e+00 -6.389495788e-01 6.991627721e-01 2.14 -2.784130481e+00 -9.759075400e-01 2.579129155e-01 2.16 -2.935659427e+00 -1.285329423e+00 -1.504404792e-01 2.18 -3.069938769e+00 -1.568947573e+00 -5.278583687e-01 2.20 -3.188218427e+00 -1.828394885e+00 -8.761939197e-01 2.22 -3.291668336e+00 -2.065210255e+00 -1.197198200e+00 2.24 -3.381383268e+00 -2.280843748e+00 -1.492525575e+00 2.26 -3.458387390e+00 -2.476661481e+00 -1.763738831e+00 2.28 -3.523638539e+00 -2.653950254e+00 -2.012314026e+00 2.30 -3.578032263e+00 -2.813921925e+00 -2.239645096e+00 2.32 -3.622405611e+00 -2.957717556e+00 -2.447048220e+00 2.34 -3.657540714e+00 -3.086411334e+00 -2.635765964e+00 2.36 -3.684168145e+00 -3.201014282e+00 -2.806971198e+00 2.38 -3.702970091e+00 -3.302477772e+00 -2.961770827e+00 2.40 -3.714583330e+00 -3.391696845e+00 -3.101209315e+00 2.42 -3.719602036e+00 -3.469513358e+00 -3.226272030e+00 2.44 -3.718580420e+00 -3.536718953e+00 -3.337888418e+00 2.46 -3.712035211e+00 -3.594057875e+00 -3.436935009e+00 2.48 -3.700447992e+00 -3.642229631e+00 -3.524238263e+00 2.50 -3.684267393e+00 -3.681891507e+00 -3.600577276e+00 2.52 -3.663911160e+00 -3.713660946e+00 -3.666686339e+00 2.54 -3.639768096e+00 -3.738117804e+00 -3.723257360e+00 2.56 -3.612209075e+00 -3.755806475e+00 -3.770942169e+00 2.58 -3.581674792e+00 -3.767237906e+00 -3.810354694e+00 2.60 -3.548432565e+00 -3.772891499e+00 -3.842073025e+00 2.62 -3.512502906e+00 -3.773216909e+00 -3.866641372e+00 2.64 -3.474356724e+00 -3.768635748e+00 -3.884571916e+00 2.66 -3.434243881e+00 -3.759543187e+00 -3.896346567e+00 2.68 -3.392395984e+00 -3.746309484e+00 -3.902418627e+00 2.70 -3.349027572e+00 -3.729281411e+00 -3.903214362e+00 2.72 -3.304337218e+00 -3.708783618e+00 -3.899134501e+00 2.74 -3.258508573e+00 -3.685119920e+00 -3.890555642e+00 2.76 -3.211711343e+00 -3.658574480e+00 -3.877831594e+00 2.78 -3.164102205e+00 -3.629412970e+00 -3.861294645e+00 2.80 -3.115825672e+00 -3.597883683e+00 -3.841256761e+00 2.82 -3.067014892e+00 -3.564218516e+00 -3.818010719e+00 2.84 -3.017792417e+00 -3.528633941e+00 -3.791831190e+00 2.86 -2.968270905e+00 -3.491331923e+00 -3.762975750e+00 2.88 -2.918553789e+00 -3.452500773e+00 -3.731685848e+00 2.90 -2.868735903e+00 -3.412315964e+00 -3.698187715e+00 2.92 -2.818904067e+00 -3.370940897e+00 -3.662693231e+00 2.94 -2.769137637e+00 -3.328527622e+00 -3.625400739e+00 2.96 -2.719509018e+00 -3.285217522e+00 -3.586495818e+00 2.98 -2.670084147e+00 -3.241141956e+00 -3.546152015e+00 3.00 -2.620922943e+00 -3.196422868e+00 -3.504531538e+00 3.02 -2.572079731e+00 -3.151173359e+00 -3.461785908e+00 3.04 -2.523603641e+00 -3.105498227e+00 -3.418056580e+00 3.06 -2.475538970e+00 -3.059494481e+00 -3.373475524e+00 3.08 -2.427925538e+00 -3.013251816e+00 -3.328165785e+00 3.10 -2.380799008e+00 -2.966853070e+00 -3.282242001e+00 3.12 -2.334191187e+00 -2.920374652e+00 -3.235816760e+00 3.14 -2.288130316e+00 -2.873886943e+00 -3.189632822e+00 3.16 -2.242641329e+00 -2.827454675e+00 -3.146610949e+00 3.18 -2.197746107e+00 -2.781137291e+00 -3.105959706e+00 3.20 -2.153463702e+00 -2.734989280e+00 -3.058262682e+00 3.22 -2.109810562e+00 -2.689060498e+00 -3.010360552e+00 3.24 -2.066800725e+00 -2.643396460e+00 -2.962455768e+00 3.26 -2.024446013e+00 -2.598038631e+00 -2.914611351e+00 3.28 -1.982756207e+00 -2.553024680e+00 -2.866885507e+00 3.30 -1.941739210e+00 -2.508388741e+00 -2.819331923e+00 3.32 -1.901401198e+00 -2.464161638e+00 -2.772000045e+00 3.34 -1.861746769e+00 -2.420371111e+00 -2.724935346e+00 3.36 -1.822779069e+00 -2.377042022e+00 -2.678179569e+00 3.38 -1.784499922e+00 -2.334196553e+00 -2.631770969e+00 3.40 -1.746909940e+00 -2.291854384e+00 -2.585744529e+00 3.42 -1.710008634e+00 -2.250032871e+00 -2.540132174e+00 3.44 -1.673794513e+00 -2.208747208e+00 -2.494962963e+00 3.46 -1.638265176e+00 -2.168010574e+00 -2.450263282e+00 3.48 -1.603417397e+00 -2.127834284e+00 -2.406057012e+00 3.50 -1.569247211e+00 -2.088227915e+00 -2.362365700e+00 3.52 -1.535749982e+00 -2.049199441e+00 -2.319208713e+00 3.54 -1.502920474e+00 -2.010755344e+00 -2.276603383e+00 3.56 -1.470752918e+00 -1.972900729e+00 -2.234565149e+00 3.58 -1.439241066e+00 -1.935639428e+00 -2.193107684e+00 3.60 -1.408355978e+00 -1.898974096e+00 -2.152243018e+00 3.62 -1.373944390e+00 -1.862906304e+00 -2.111981656e+00 3.64 -1.308525356e+00 -1.827436625e+00 -2.072332681e+00 3.66 -1.157083320e+00 -1.792564713e+00 -2.033303862e+00 3.68 -1.061151644e+00 -1.758289380e+00 -1.994901746e+00 3.70 -1.036966644e+00 -1.724608664e+00 -1.957131750e+00 3.72 -1.013404118e+00 -1.691519897e+00 -1.919998244e+00 3.74 -9.904554346e-01 -1.659019768e+00 -1.883504631e+00 3.76 -9.681118849e-01 -1.627104374e+00 -1.847653420e+00 3.78 -9.463646975e-01 -1.595769282e+00 -1.812446298e+00 3.80 -9.252050595e-01 -1.565009575e+00 -1.777884196e+00 3.82 -9.046241315e-01 -1.534823070e+00 -1.743967344e+00 3.84 -8.846130622e-01 -1.505488786e+00 -1.710695335e+00 3.86 -8.651629996e-01 -1.477753092e+00 -1.678067174e+00 3.88 -8.462651008e-01 -1.447593093e+00 -1.646081330e+00 3.90 -8.279105396e-01 -1.414471357e+00 -1.614735779e+00 3.92 -8.100905123e-01 -1.388400003e+00 -1.584028050e+00 3.94 -7.927941123e-01 -1.362819845e+00 -1.553955264e+00 3.96 -7.741903063e-01 -1.337723386e+00 -1.524514167e+00 3.98 -7.395600299e-01 -1.313103031e+00 -1.495701169e+00 4.00 -6.511726761e-01 -1.288951105e+00 -1.467512372e+00 4.02 -4.755624622e-01 -1.265259872e+00 -1.439943599e+00 4.04 -4.373409300e-01 -1.242021553e+00 -1.412990417e+00 4.06 -4.285376190e-01 -1.219228340e+00 -1.386648166e+00 4.08 -4.199080903e-01 -1.196872410e+00 -1.360911973e+00 4.10 -4.114491667e-01 -1.174945941e+00 -1.335776773e+00 4.12 -4.031577053e-01 -1.153441122e+00 -1.311237327e+00 4.14 -3.950305993e-01 -1.132350166e+00 -1.287288231e+00 4.16 -3.870647797e-01 -1.111665319e+00 -1.263923931e+00 4.18 -3.792572158e-01 -1.091378871e+00 -1.241138727e+00 4.20 -3.716049173e-01 -1.071483163e+00 -1.218926786e+00 4.22 -3.641049346e-01 -1.051970597e+00 -1.197282140e+00 4.24 -3.567543598e-01 -1.032833642e+00 -1.176198690e+00 4.26 -3.495503273e-01 -1.014064841e+00 -1.155670205e+00 4.28 -3.424900145e-01 -9.956568176e-01 -1.135690320e+00 4.30 -3.355706422e-01 -9.776022794e-01 -1.116252529e+00 4.32 -3.287894747e-01 -9.598940256e-01 -1.097350175e+00 4.34 -3.221438203e-01 -9.425249499e-01 -1.078976444e+00 4.36 -3.156310314e-01 -9.254880443e-01 -1.061124345e+00 4.38 -3.092485042e-01 -9.087764031e-01 -1.043786700e+00 4.40 -3.029936795e-01 -8.923832257e-01 -1.026956120e+00 4.42 -2.961876000e-01 -8.749785580e-01 -1.009516381e+00 4.44 -2.802691644e-01 -8.393747643e-01 -9.767180071e-01 4.46 -2.330655705e-01 -7.336811113e-01 -8.773794948e-01 4.48 -1.266468979e-01 -4.492097116e-01 -5.689286537e-01 4.50 -1.624710093e-22 -5.828821219e-22 -5.252842421e-22 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 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