# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Aslam-I-Baskes-M-I-Dickel-D-E-et-al--Fe-Mn-Si-C # implementation = 2019--Aslam-I--Fe-Mn-Si-C--LAMMPS--ipr1 # composition = C2FeMn # 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 4.026699367e+02 4.026699367e+02 1.00 3.735947116e+02 3.735947116e+02 1.02 3.465165411e+02 3.465165411e+02 1.04 3.212592699e+02 3.212592699e+02 1.06 2.976842869e+02 2.976842869e+02 1.08 2.756788063e+02 2.756788063e+02 1.10 2.551474270e+02 2.551474270e+02 1.12 2.360062518e+02 2.360062518e+02 1.14 2.181788101e+02 2.181788101e+02 1.16 2.015932965e+02 2.015932965e+02 1.18 1.861808415e+02 1.861808415e+02 1.20 1.718745058e+02 1.718745058e+02 1.22 1.586087788e+02 1.586087788e+02 1.24 1.463194138e+02 1.463194138e+02 1.26 1.349434735e+02 1.349434735e+02 1.28 1.244194924e+02 1.244194924e+02 1.30 1.146876864e+02 1.146876864e+02 1.32 1.056901587e+02 1.056901587e+02 1.34 9.737106435e+01 9.737106435e+01 1.36 8.967648817e+01 8.967648817e+01 1.38 8.255415205e+01 8.255415205e+01 1.40 7.600279198e+01 7.600279198e+01 1.42 7.109922375e+01 7.109922375e+01 1.44 6.744054345e+01 6.744054345e+01 1.46 6.421474750e+01 6.421474750e+01 1.48 6.095069771e+01 6.095069771e+01 1.50 5.738978285e+01 5.738978285e+01 1.52 5.337091540e+01 5.337091540e+01 1.54 4.855478621e+01 4.855478621e+01 1.56 4.211526413e+01 4.211526413e+01 1.58 3.941270874e+01 3.941270874e+01 1.60 3.657736434e+01 3.657736434e+01 1.62 3.362534341e+01 3.362534341e+01 1.64 3.064136846e+01 3.064136846e+01 1.66 2.860694487e+01 2.860694487e+01 1.68 2.761039439e+01 2.761039439e+01 1.70 2.692005466e+01 2.692005466e+01 1.72 2.614227201e+01 2.614227201e+01 1.74 2.509807130e+01 2.509807130e+01 1.76 2.373998228e+01 2.373998228e+01 1.78 2.209533900e+01 2.209533900e+01 1.80 2.022872418e+01 2.022872418e+01 1.82 1.821804450e+01 1.821804450e+01 1.84 1.614012729e+01 1.614012729e+01 1.86 1.406281544e+01 1.406281544e+01 1.88 1.204136394e+01 1.204136394e+01 1.90 1.011755967e+01 1.011755967e+01 1.92 8.320450025e+00 8.320450025e+00 1.94 6.667940906e+00 6.667940906e+00 1.96 5.168762847e+00 5.168762847e+00 1.98 3.824485057e+00 3.824485057e+00 2.00 2.631389772e+00 2.631389772e+00 2.02 1.582116565e+00 1.582116565e+00 2.04 6.670256961e-01 6.670256961e-01 2.06 -1.247381322e-01 -1.247381322e-01 2.08 -8.044339335e-01 -8.044339335e-01 2.10 -1.383231243e+00 -1.383231243e+00 2.12 -1.871892848e+00 -1.871892848e+00 2.14 -2.280492070e+00 -2.280492070e+00 2.16 -2.618235612e+00 -2.618235612e+00 2.18 -2.893392105e+00 -2.893392105e+00 2.20 -3.113360267e+00 -3.113360267e+00 2.22 -3.284778265e+00 -3.284778265e+00 2.24 -3.413598918e+00 -3.413598918e+00 2.26 -3.505155775e+00 -3.505155775e+00 2.28 -3.564222987e+00 -3.564222987e+00 2.30 -3.595069612e+00 -3.595069612e+00 2.32 -3.601508865e+00 -3.601508865e+00 2.34 -3.586942713e+00 -3.586942713e+00 2.36 -3.554402313e+00 -3.554402313e+00 2.38 -3.506584640e+00 -3.506584640e+00 2.40 -3.445884814e+00 -3.445884814e+00 2.42 -3.374386203e+00 -3.374386203e+00 2.44 -3.293882564e+00 -3.293882564e+00 2.46 -3.205968352e+00 -3.205968352e+00 2.48 -3.112062254e+00 -3.112062254e+00 2.50 -3.013423582e+00 -3.013423582e+00 2.52 -2.911167247e+00 -2.911167247e+00 2.54 -2.806277449e+00 -2.806277449e+00 2.56 -2.699620159e+00 -2.699620159e+00 2.58 -2.591954537e+00 -2.591954537e+00 2.60 -2.483943333e+00 -2.483943333e+00 2.62 -2.376162665e+00 -2.376162665e+00 2.64 -2.269118240e+00 -2.269118240e+00 2.66 -2.163252181e+00 -2.163252181e+00 2.68 -2.058940538e+00 -2.058940538e+00 2.70 -1.956499757e+00 -1.956499757e+00 2.72 -1.856193043e+00 -1.856193043e+00 2.74 -1.758236143e+00 -1.758236143e+00 2.76 -1.662802596e+00 -1.662802596e+00 2.78 -1.570028491e+00 -1.570028491e+00 2.80 -1.480016780e+00 -1.480016780e+00 2.82 -1.392841190e+00 -1.392841190e+00 2.84 -1.308549758e+00 -1.308549758e+00 2.86 -1.227168030e+00 -1.227168030e+00 2.88 -1.148701958e+00 -1.148701958e+00 2.90 -1.073140506e+00 -1.073140506e+00 2.92 -1.000458007e+00 -1.000458007e+00 2.94 -9.306162874e-01 -9.306162874e-01 2.96 -8.635665761e-01 -8.635665761e-01 2.98 -7.992512203e-01 -7.992512203e-01 3.00 -7.376052262e-01 -7.376052262e-01 3.02 -6.785576384e-01 -6.785576384e-01 3.04 -6.220327716e-01 -6.220327716e-01 3.06 -5.679513094e-01 -5.679513094e-01 3.08 -5.162312798e-01 -5.162312798e-01 3.10 -4.667889194e-01 -4.667889194e-01 3.12 -4.195394351e-01 -4.195394351e-01 3.14 -3.743976726e-01 -3.743976726e-01 3.16 -3.312786986e-01 -3.312786986e-01 3.18 -2.900983057e-01 -2.900983057e-01 3.20 -2.507734450e-01 -2.507734450e-01 3.22 -2.132225932e-01 -2.132225932e-01 3.24 -1.773660611e-01 -1.773660611e-01 3.26 -1.431262458e-01 -1.431262458e-01 3.28 -1.104278354e-01 -1.104278354e-01 3.30 -7.919796791e-02 -7.919796791e-02 3.32 -4.936634966e-02 -4.936634966e-02 3.34 -2.086533878e-02 -2.086533878e-02 3.36 6.370004840e-03 6.370004840e-03 3.38 3.240189735e-02 3.240189735e-02 3.40 5.728983336e-02 5.728983336e-02 3.42 8.109061078e-02 8.109061078e-02 3.44 1.038583731e-01 1.038583731e-01 3.46 1.256446678e-01 1.256446678e-01 3.48 1.464985176e-01 1.464985176e-01 3.50 1.664665011e-01 1.664665011e-01 3.52 1.855928434e-01 1.855928434e-01 3.54 2.039195110e-01 2.039195110e-01 3.56 2.214863115e-01 2.214863115e-01 3.58 2.383309972e-01 2.383309972e-01 3.60 2.544893686e-01 2.544893686e-01 3.62 2.699953792e-01 2.699953792e-01 3.64 2.848812396e-01 2.848812396e-01 3.66 2.991775201e-01 2.991775201e-01 3.68 3.129132515e-01 3.129132515e-01 3.70 3.261160241e-01 3.261160241e-01 3.72 3.388120839e-01 3.388120839e-01 3.74 3.510264260e-01 3.510264260e-01 3.76 3.627828864e-01 3.627828864e-01 3.78 3.741042302e-01 3.741042302e-01 3.80 3.850122393e-01 3.850122393e-01 3.82 3.955277966e-01 3.955277966e-01 3.84 4.056709704e-01 4.056709704e-01 3.86 4.154610973e-01 4.154610973e-01 3.88 4.249168659e-01 4.249168659e-01 3.90 4.340564008e-01 4.340564008e-01 3.92 4.428973491e-01 4.428973491e-01 3.94 4.514569701e-01 4.514569701e-01 3.96 4.597522302e-01 4.597522302e-01 3.98 4.677999046e-01 4.677999046e-01 4.00 4.756166881e-01 4.756166881e-01 4.02 4.832193191e-01 4.832193191e-01 4.04 4.906247194e-01 4.906247194e-01 4.06 4.978501565e-01 4.978501565e-01 4.08 5.049134338e-01 5.049134338e-01 4.10 5.118331194e-01 5.118331194e-01 4.12 5.186288243e-01 5.186288243e-01 4.14 5.253215495e-01 5.253215495e-01 4.16 5.319341242e-01 5.319341242e-01 4.18 5.384917714e-01 5.384917714e-01 4.20 5.450228526e-01 5.450228526e-01 4.22 5.515598667e-01 5.515598667e-01 4.24 5.581408249e-01 5.581408249e-01 4.26 5.644998975e-01 5.644998975e-01 4.28 5.650509179e-01 5.650509179e-01 4.30 5.577561071e-01 5.577561071e-01 4.32 6.159604574e-01 6.159604574e-01 4.34 5.821175304e-01 5.821175304e-01 4.36 5.794304687e-01 5.794304687e-01 4.38 5.765340304e-01 5.765340304e-01 4.40 5.734583331e-01 5.734583331e-01 4.42 5.702282396e-01 5.702282396e-01 4.44 5.668646341e-01 5.668646341e-01 4.46 5.633853080e-01 5.633853080e-01 4.48 5.598055934e-01 5.598055934e-01 4.50 5.561388300e-01 5.561388300e-01 4.52 5.523967165e-01 5.523967165e-01 4.54 5.485895811e-01 5.485895811e-01 4.56 5.447265928e-01 5.447265928e-01 4.58 5.408159305e-01 5.408159305e-01 4.60 5.368649186e-01 5.368649186e-01 4.62 5.328801387e-01 5.328801387e-01 4.64 5.288675213e-01 5.288675213e-01 4.66 5.248324235e-01 5.248324235e-01 4.68 5.207796938e-01 5.207796938e-01 4.70 5.167137275e-01 5.167137275e-01 4.72 5.126385147e-01 5.126385147e-01 4.74 5.085576812e-01 5.085576812e-01 4.76 5.044745245e-01 5.044745245e-01 4.78 5.003920455e-01 5.003920455e-01 4.80 4.963129758e-01 4.963129758e-01 4.82 4.922398025e-01 4.922398025e-01 4.84 4.881747901e-01 4.881747901e-01 4.86 4.841199997e-01 4.841199997e-01 4.88 4.800773067e-01 4.800773067e-01 4.90 4.760484163e-01 4.760484163e-01 4.92 4.704632134e-01 4.704632134e-01 4.94 4.434505313e-01 4.434505313e-01 4.96 3.477237194e-01 3.477237194e-01 4.98 1.538783988e-01 1.538783988e-01 5.00 -3.824784240e-23 -3.825701193e-23 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00