# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Starikov-S-Gordeev-I-Lysogorskiy-Y-et-al--Si-Au-Al # implementation = 2020--Starikov-S--Si-Au-Al--LAMMPS--ipr1 # composition = Al2AuSi # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 1.840950797e+02 1.840950797e+02 1.08 1.714970935e+02 1.714970935e+02 1.10 1.601108706e+02 1.601108706e+02 1.12 1.494688288e+02 1.494688288e+02 1.14 1.398820372e+02 1.398820372e+02 1.16 1.310052003e+02 1.310052003e+02 1.18 1.227746190e+02 1.227746190e+02 1.20 1.151566549e+02 1.151566549e+02 1.22 1.081312224e+02 1.081312224e+02 1.24 1.016940918e+02 1.016940918e+02 1.26 9.582036358e+01 9.582036358e+01 1.28 9.053582561e+01 9.053582561e+01 1.30 8.576377682e+01 8.576377682e+01 1.32 8.144618502e+01 8.144618502e+01 1.34 7.754262680e+01 7.754262680e+01 1.36 7.402281161e+01 7.402281161e+01 1.38 7.085983668e+01 7.085983668e+01 1.40 6.801600837e+01 6.801600837e+01 1.42 6.545334289e+01 6.545334289e+01 1.44 6.313425926e+01 6.313425926e+01 1.46 6.102964244e+01 6.102964244e+01 1.48 5.912344945e+01 5.912344945e+01 1.50 5.740130873e+01 5.740130873e+01 1.52 5.584481023e+01 5.584481023e+01 1.54 5.443151307e+01 5.443151307e+01 1.56 5.310930013e+01 5.310930013e+01 1.58 5.185098916e+01 5.185098916e+01 1.60 5.071060472e+01 5.071060472e+01 1.62 4.963155038e+01 4.963155038e+01 1.64 4.861557486e+01 4.861557486e+01 1.66 4.766553690e+01 4.766553690e+01 1.68 4.677869086e+01 4.677869086e+01 1.70 4.594946663e+01 4.594946663e+01 1.72 4.517175329e+01 4.517175329e+01 1.74 4.444008875e+01 4.444008875e+01 1.76 4.375240758e+01 4.375240758e+01 1.78 4.310843246e+01 4.310843246e+01 1.80 4.250500989e+01 4.250500989e+01 1.82 4.189098987e+01 4.189098987e+01 1.84 4.135912478e+01 4.135912478e+01 1.86 4.085925026e+01 4.085925026e+01 1.88 4.039227196e+01 4.039227196e+01 1.90 3.995706549e+01 3.995706549e+01 1.92 3.955031105e+01 3.955031105e+01 1.94 3.916830398e+01 3.916830398e+01 1.96 3.880754955e+01 3.880754955e+01 1.98 3.780725537e+01 3.780725537e+01 2.00 3.589006033e+01 3.589006033e+01 2.02 3.261590564e+01 3.261590564e+01 2.04 2.845373979e+01 2.845373979e+01 2.06 2.484729464e+01 2.484729464e+01 2.08 2.174817240e+01 2.174817240e+01 2.10 1.877842958e+01 1.877842958e+01 2.12 1.511525737e+01 1.511525737e+01 2.14 1.209736049e+01 1.209736049e+01 2.16 9.635158879e+00 9.635158879e+00 2.18 7.647356488e+00 7.647356488e+00 2.20 6.042261003e+00 6.042261003e+00 2.22 4.740336910e+00 4.740336910e+00 2.24 3.673345976e+00 3.673345976e+00 2.26 2.780528782e+00 2.780528782e+00 2.28 2.011110789e+00 2.011110789e+00 2.30 1.326209376e+00 1.326209376e+00 2.32 7.096810039e-01 7.096810039e-01 2.34 1.563123750e-01 1.563123750e-01 2.36 -3.383686982e-01 -3.383686982e-01 2.38 -7.752802122e-01 -7.752802122e-01 2.40 -1.158398781e+00 -1.158398781e+00 2.42 -1.485118631e+00 -1.485118631e+00 2.44 -1.772523658e+00 -1.772523658e+00 2.46 -2.025973550e+00 -2.025973550e+00 2.48 -2.249643945e+00 -2.249643945e+00 2.50 -2.446726424e+00 -2.446726424e+00 2.52 -2.620797840e+00 -2.620797840e+00 2.54 -2.777991571e+00 -2.777991571e+00 2.56 -2.934856226e+00 -2.934856226e+00 2.58 -3.077034449e+00 -3.077034449e+00 2.60 -3.215419784e+00 -3.215419784e+00 2.62 -3.352280039e+00 -3.352280039e+00 2.64 -3.489675881e+00 -3.489675881e+00 2.66 -3.628843823e+00 -3.628843823e+00 2.68 -3.759648790e+00 -3.759648790e+00 2.70 -3.794387061e+00 -3.794387061e+00 2.72 -3.822800029e+00 -3.822800029e+00 2.74 -3.841920112e+00 -3.841920112e+00 2.76 -3.852547751e+00 -3.852547751e+00 2.78 -3.856904392e+00 -3.856904392e+00 2.80 -3.856171641e+00 -3.856171641e+00 2.82 -3.851013544e+00 -3.851013544e+00 2.84 -3.842271760e+00 -3.842271760e+00 2.86 -3.830198310e+00 -3.830198310e+00 2.88 -3.814102690e+00 -3.814102690e+00 2.90 -3.792744803e+00 -3.792744803e+00 2.92 -3.764938414e+00 -3.764938414e+00 2.94 -3.730630083e+00 -3.730630083e+00 2.96 -3.690397467e+00 -3.690397467e+00 2.98 -3.645780430e+00 -3.645780430e+00 3.00 -3.598947430e+00 -3.598947430e+00 3.02 -3.551824550e+00 -3.551824550e+00 3.04 -3.505501054e+00 -3.505501054e+00 3.06 -3.459951945e+00 -3.459951945e+00 3.08 -3.414651946e+00 -3.414651946e+00 3.10 -3.369556976e+00 -3.369556976e+00 3.12 -3.322896876e+00 -3.322896876e+00 3.14 -3.252323662e+00 -3.252323662e+00 3.16 -3.181325829e+00 -3.181325829e+00 3.18 -3.111143766e+00 -3.111143766e+00 3.20 -3.042119564e+00 -3.042119564e+00 3.22 -2.974474929e+00 -2.974474929e+00 3.24 -2.908451112e+00 -2.908451112e+00 3.26 -2.844077717e+00 -2.844077717e+00 3.28 -2.781626857e+00 -2.781626857e+00 3.30 -2.721681242e+00 -2.721681242e+00 3.32 -2.662786983e+00 -2.662786983e+00 3.34 -2.601238011e+00 -2.601238011e+00 3.36 -2.533723921e+00 -2.533723921e+00 3.38 -2.458143602e+00 -2.458143602e+00 3.40 -2.374183352e+00 -2.374183352e+00 3.42 -2.283494969e+00 -2.283494969e+00 3.44 -2.190215207e+00 -2.190215207e+00 3.46 -2.098533760e+00 -2.098533760e+00 3.48 -2.011986137e+00 -2.011986137e+00 3.50 -1.932001219e+00 -1.932001219e+00 3.52 -1.858847016e+00 -1.858847016e+00 3.54 -1.791833911e+00 -1.791833911e+00 3.56 -1.729678753e+00 -1.729678753e+00 3.58 -1.670840182e+00 -1.670840182e+00 3.60 -1.613562799e+00 -1.613562799e+00 3.62 -1.555988144e+00 -1.555988144e+00 3.64 -1.497079185e+00 -1.497079185e+00 3.66 -1.449934282e+00 -1.449934282e+00 3.68 -1.430158033e+00 -1.430158033e+00 3.70 -1.419979812e+00 -1.419979812e+00 3.72 -1.412060673e+00 -1.412060673e+00 3.74 -1.405884561e+00 -1.405884561e+00 3.76 -1.400981216e+00 -1.400981216e+00 3.78 -1.396795368e+00 -1.396795368e+00 3.80 -1.392822700e+00 -1.392822700e+00 3.82 -1.388706136e+00 -1.388706136e+00 3.84 -1.384105845e+00 -1.384105845e+00 3.86 -1.379061154e+00 -1.379061154e+00 3.88 -1.373452103e+00 -1.373452103e+00 3.90 -1.367470184e+00 -1.367470184e+00 3.92 -1.360934099e+00 -1.360934099e+00 3.94 -1.354026083e+00 -1.354026083e+00 3.96 -1.346507754e+00 -1.346507754e+00 3.98 -1.338550533e+00 -1.338550533e+00 4.00 -1.329859360e+00 -1.329859360e+00 4.02 -1.320520129e+00 -1.320520129e+00 4.04 -1.310348824e+00 -1.310348824e+00 4.06 -1.299275115e+00 -1.299275115e+00 4.08 -1.286954576e+00 -1.286954576e+00 4.10 -1.273432238e+00 -1.273432238e+00 4.12 -1.258534857e+00 -1.258534857e+00 4.14 -1.242235111e+00 -1.242235111e+00 4.16 -1.224783047e+00 -1.224783047e+00 4.18 -1.206172623e+00 -1.206172623e+00 4.20 -1.186473428e+00 -1.186473428e+00 4.22 -1.166278344e+00 -1.166278344e+00 4.24 -1.145839507e+00 -1.145839507e+00 4.26 -1.125642084e+00 -1.125642084e+00 4.28 -1.106249095e+00 -1.106249095e+00 4.30 -1.087999596e+00 -1.087999596e+00 4.32 -1.071654519e+00 -1.071654519e+00 4.34 -1.057523822e+00 -1.057523822e+00 4.36 -1.046136450e+00 -1.046136450e+00 4.38 -1.037430693e+00 -1.037430693e+00 4.40 -1.031095316e+00 -1.031095316e+00 4.42 -1.026745647e+00 -1.026745647e+00 4.44 -1.024004271e+00 -1.024004271e+00 4.46 -1.022428808e+00 -1.022428808e+00 4.48 -1.021565303e+00 -1.021565303e+00 4.50 -1.020973058e+00 -1.020973058e+00 4.52 -1.020182234e+00 -1.020182234e+00 4.54 -1.018719888e+00 -1.018719888e+00 4.56 -1.016144784e+00 -1.016144784e+00 4.58 -1.012022148e+00 -1.012022148e+00 4.60 -1.005913907e+00 -1.005913907e+00 4.62 -9.975131364e-01 -9.975131364e-01 4.64 -9.869668598e-01 -9.869668598e-01 4.66 -9.745067646e-01 -9.745067646e-01 4.68 -9.603725898e-01 -9.603725898e-01 4.70 -9.448633328e-01 -9.448633328e-01 4.72 -9.281269443e-01 -9.281269443e-01 4.74 -9.104388990e-01 -9.104388990e-01 4.76 -8.922278867e-01 -8.922278867e-01 4.78 -8.738881617e-01 -8.738881617e-01 4.80 -8.558838951e-01 -8.558838951e-01 4.82 -8.385834525e-01 -8.385834525e-01 4.84 -8.223942528e-01 -8.223942528e-01 4.86 -8.077679947e-01 -8.077679947e-01 4.88 -7.949117797e-01 -7.949117797e-01 4.90 -7.835289552e-01 -7.835289552e-01 4.92 -7.732636351e-01 -7.732636351e-01 4.94 -7.638475252e-01 -7.638475252e-01 4.96 -7.550051529e-01 -7.550051529e-01 4.98 -7.464412341e-01 -7.464412341e-01 5.00 -7.379617380e-01 -7.379617380e-01 5.02 -7.293755891e-01 -7.293755891e-01 5.04 -7.205014355e-01 -7.205014355e-01 5.06 -7.111694220e-01 -7.111694220e-01 5.08 -7.011623898e-01 -7.011623898e-01 5.10 -6.902299611e-01 -6.902299611e-01 5.12 -6.781048554e-01 -6.781048554e-01 5.14 -6.646405208e-01 -6.646405208e-01 5.16 -6.499662124e-01 -6.499662124e-01 5.18 -6.342902975e-01 -6.342902975e-01 5.20 -6.178062267e-01 -6.178062267e-01 5.22 -6.006110727e-01 -6.006110727e-01 5.24 -5.828432828e-01 -5.828432828e-01 5.26 -5.647778820e-01 -5.647778820e-01 5.28 -5.465385464e-01 -5.465385464e-01 5.30 -5.283189366e-01 -5.283189366e-01 5.32 -5.103559066e-01 -5.103559066e-01 5.34 -4.929125485e-01 -4.929125485e-01 5.36 -4.761387845e-01 -4.761387845e-01 5.38 -4.602662723e-01 -4.602662723e-01 5.40 -4.442310767e-01 -4.442310767e-01 5.42 -4.279337893e-01 -4.279337893e-01 5.44 -4.113962404e-01 -4.113962404e-01 5.46 -3.946323496e-01 -3.946323496e-01 5.48 -3.776094049e-01 -3.776094049e-01 5.50 -3.603487054e-01 -3.603487054e-01 5.52 -3.429098920e-01 -3.429098920e-01 5.54 -3.253473842e-01 -3.253473842e-01 5.56 -3.077472916e-01 -3.077472916e-01 5.58 -2.902597239e-01 -2.902597239e-01 5.60 -2.730819020e-01 -2.730819020e-01 5.62 -2.564738379e-01 -2.564738379e-01 5.64 -2.403952063e-01 -2.403952063e-01 5.66 -2.254089782e-01 -2.254089782e-01 5.68 -2.118001927e-01 -2.118001927e-01 5.70 -1.996196311e-01 -1.996196311e-01 5.72 -1.884373770e-01 -1.884373770e-01 5.74 -1.780722464e-01 -1.780722464e-01 5.76 -1.684964082e-01 -1.684964082e-01 5.78 -1.596662560e-01 -1.596662560e-01 5.80 -1.515132224e-01 -1.515132224e-01 5.82 -1.439022002e-01 -1.439022002e-01 5.84 -1.367208433e-01 -1.367208433e-01 5.86 -1.300530172e-01 -1.300530172e-01 5.88 -1.237712716e-01 -1.237712716e-01 5.90 -1.171558470e-01 -1.171558470e-01 5.92 -1.097769589e-01 -1.097769589e-01 5.94 -1.016365469e-01 -1.016365469e-01 5.96 -9.310739925e-02 -9.310739925e-02 5.98 -8.429158729e-02 -8.429158729e-02 6.00 -7.504707401e-02 -7.504707401e-02