# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Guo-J-Ward-L-Babuji-Y-et-al--Li-K-Cl # implementation = 2022--Guo-J--Li-K-Cl--LAMMPS--ipr1 # composition = 171932 # 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 2022-12-14 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 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 nan nan 1.30 nan nan 1.32 nan nan 1.34 nan nan 1.36 nan nan 1.38 nan nan 1.40 nan nan 1.42 nan nan 1.44 nan nan 1.46 nan nan 1.48 nan nan 1.50 nan nan 1.52 nan nan 1.54 nan nan 1.56 nan nan 1.58 nan nan 1.60 nan nan 1.62 nan nan 1.64 nan nan 1.66 nan nan 1.68 nan nan 1.70 nan 5.166517843e+00 1.72 nan 4.123207619e+00 1.74 3.156291570e+00 3.156291570e+00 1.76 2.260130283e+00 2.260130283e+00 1.78 1.433088896e+00 1.433088896e+00 1.80 6.705981458e-01 6.705981458e-01 1.82 -3.103486522e-02 -3.103486522e-02 1.84 -6.723643159e-01 -6.723643159e-01 1.86 -1.257183025e+00 -1.257183025e+00 1.88 -1.789377248e+00 -1.789377248e+00 1.90 -2.271286296e+00 -2.271286296e+00 1.92 -2.697756902e+00 -2.697756902e+00 1.94 -3.055483571e+00 -3.055483571e+00 1.96 -3.350077127e+00 -3.350077127e+00 1.98 -3.589667044e+00 -3.589667044e+00 2.00 -3.797532404e+00 -3.797532404e+00 2.02 -3.988292776e+00 -3.988292776e+00 2.04 -4.169023196e+00 -4.169023196e+00 2.06 -4.342522766e+00 -4.342522766e+00 2.08 -4.508512355e+00 -4.508512355e+00 2.10 -4.665051976e+00 -4.665051976e+00 2.12 -4.807975929e+00 -4.807975929e+00 2.14 -4.938028227e+00 -4.938028227e+00 2.16 -5.057716410e+00 -5.057716410e+00 2.18 -5.171010149e+00 -5.171010149e+00 2.20 -5.281517232e+00 -5.281517232e+00 2.22 -5.390946055e+00 -5.390946055e+00 2.24 -5.498409888e+00 -5.498409888e+00 2.26 -5.601008519e+00 -5.601008519e+00 2.28 -5.695751340e+00 -5.695751340e+00 2.30 -5.781460568e+00 -5.781460568e+00 2.32 -5.848796510e+00 -5.848796510e+00 2.34 -5.892783022e+00 -5.892783022e+00 2.36 -5.913749818e+00 -5.913749818e+00 2.38 -5.920228463e+00 -5.920228463e+00 2.40 -5.915615792e+00 -5.915615792e+00 2.42 -5.901640900e+00 -5.901640900e+00 2.44 -5.880164372e+00 -5.880164372e+00 2.46 -5.853125090e+00 -5.853125090e+00 2.48 -5.820278442e+00 -5.820278442e+00 2.50 -5.781827379e+00 -5.781827379e+00 2.52 -5.740455072e+00 -5.740455072e+00 2.54 -5.698835718e+00 -5.698835718e+00 2.56 -5.659558845e+00 -5.659558845e+00 2.58 -5.624640777e+00 -5.624640777e+00 2.60 -5.595481581e+00 -5.595481581e+00 2.62 -5.575090412e+00 -5.575090412e+00 2.64 -5.565529957e+00 -5.565529957e+00 2.66 -5.567137423e+00 -5.567137423e+00 2.68 -5.578280246e+00 -5.578280246e+00 2.70 -5.595657698e+00 -5.595657698e+00 2.72 -5.615153398e+00 -5.615153398e+00 2.74 -5.632938970e+00 -5.632938970e+00 2.76 -5.646372844e+00 -5.646372844e+00 2.78 -5.654370546e+00 -5.654370546e+00 2.80 -5.657231116e+00 -5.657231116e+00 2.82 -5.656146264e+00 -5.656146264e+00 2.84 -5.652663880e+00 -5.652663880e+00 2.86 -5.648277689e+00 -5.648277689e+00 2.88 -5.644191140e+00 -5.644191140e+00 2.90 -5.641232450e+00 -5.641232450e+00 2.92 -5.639887069e+00 -5.639887069e+00 2.94 -5.640434196e+00 -5.640434196e+00 2.96 -5.643188887e+00 -5.643188887e+00 2.98 -5.646975765e+00 -5.646975765e+00 3.00 -5.649909484e+00 -5.649909484e+00 3.02 -5.651435218e+00 -5.651435218e+00 3.04 -5.650365686e+00 -5.650365686e+00 3.06 -5.646110801e+00 -5.646110801e+00 3.08 -5.638447800e+00 -5.638447800e+00 3.10 -5.627521613e+00 -5.627521613e+00 3.12 -5.613983610e+00 -5.613983610e+00 3.14 -5.598059853e+00 -5.598059853e+00 3.16 -5.579968694e+00 -5.579968694e+00 3.18 -5.560020301e+00 -5.560020301e+00 3.20 -5.538599223e+00 -5.538599223e+00 3.22 -5.516137447e+00 -5.516137447e+00 3.24 -5.493081850e+00 -5.493081850e+00 3.26 -5.469859848e+00 -5.469859848e+00 3.28 -5.446846622e+00 -5.446846622e+00 3.30 -5.424336911e+00 -5.424336911e+00 3.32 -5.402524202e+00 -5.402524202e+00 3.34 -5.381490127e+00 -5.381490127e+00 3.36 -5.361207005e+00 -5.361207005e+00 3.38 -5.341555978e+00 -5.341555978e+00 3.40 -5.322361523e+00 -5.322361523e+00 3.42 -5.303439746e+00 -5.303439746e+00 3.44 -5.284653332e+00 -5.284653332e+00 3.46 -5.265961827e+00 -5.265961827e+00 3.48 -5.247454436e+00 -5.247454436e+00 3.50 -5.229355025e+00 -5.229355025e+00 3.52 -5.211995689e+00 -5.211995689e+00 3.54 -5.195763626e+00 -5.195763626e+00 3.56 -5.181033235e+00 -5.181033235e+00 3.58 -5.168098767e+00 -5.168098767e+00 3.60 -5.157121975e+00 -5.157121975e+00 3.62 -5.148105042e+00 -5.148105042e+00 3.64 -5.140540355e+00 -5.140540355e+00 3.66 -5.133398903e+00 -5.133398903e+00 3.68 -5.126611089e+00 -5.126611089e+00 3.70 -5.120151156e+00 -5.120151156e+00 3.72 -5.113990251e+00 -5.113990251e+00 3.74 -5.108096897e+00 -5.108096897e+00 3.76 -5.102437276e+00 -5.102437276e+00 3.78 -5.096975349e+00 -5.096975349e+00 3.80 -5.091672803e+00 -5.091672803e+00 3.82 -5.086488866e+00 -5.086488866e+00 3.84 -5.081380031e+00 -5.081380031e+00 3.86 -5.076299720e+00 -5.076299720e+00 3.88 -5.071197966e+00 -5.071197966e+00 3.90 -5.066021131e+00 -5.066021131e+00 3.92 -5.060711742e+00 -5.060711742e+00 3.94 -5.055208463e+00 -5.055208463e+00 3.96 -5.049446246e+00 -5.049446246e+00 3.98 -5.043356688e+00 -5.043356688e+00 4.00 -5.036868611e+00 -5.036868611e+00 4.02 -5.029908871e+00 -5.029908871e+00 4.04 -5.022403412e+00 -5.022403412e+00 4.06 -5.014278549e+00 -5.014278549e+00 4.08 -5.005462484e+00 -5.005462484e+00 4.10 -4.995887028e+00 -4.995887028e+00 4.12 -4.985489498e+00 -4.985489498e+00 4.14 -4.974214727e+00 -4.974214727e+00 4.16 -4.962017131e+00 -4.962017131e+00 4.18 -4.948862701e+00 -4.948862701e+00 4.20 -4.934730821e+00 -4.934730821e+00 4.22 -4.919615738e+00 -4.919615738e+00 4.24 -4.903527553e+00 -4.903527553e+00 4.26 -4.886492577e+00 -4.886492577e+00 4.28 -4.868201302e+00 -4.868201302e+00 4.30 -4.848276098e+00 -4.848276098e+00 4.32 -4.826766490e+00 -4.826766490e+00 4.34 -4.803757264e+00 -4.803757264e+00 4.36 -4.779372779e+00 -4.779372779e+00 4.38 -4.753778221e+00 -4.753778221e+00 4.40 -4.727176718e+00 -4.727176718e+00 4.42 -4.699802518e+00 -4.699802518e+00 4.44 -4.671911121e+00 -4.671911121e+00 4.46 -4.643767707e+00 -4.643767707e+00 4.48 -4.615635349e+00 -4.615635349e+00 4.50 -4.587764339e+00 -4.587764339e+00 4.52 -4.560383597e+00 -4.560383597e+00 4.54 -4.533694602e+00 -4.533694602e+00 4.56 -4.507867883e+00 -4.507867883e+00 4.58 -4.483041733e+00 -4.483041733e+00 4.60 -4.459322630e+00 -4.459322630e+00 4.62 -4.436786824e+00 -4.436786824e+00 4.64 -4.415482554e+00 -4.415482554e+00 4.66 -4.395432508e+00 -4.395432508e+00 4.68 -4.376636235e+00 -4.376636235e+00 4.70 -4.359072335e+00 -4.359072335e+00 4.72 -4.342700395e+00 -4.342700395e+00 4.74 -4.327462654e+00 -4.327462654e+00 4.76 -4.313285488e+00 -4.313285488e+00 4.78 -4.300080802e+00 -4.300080802e+00 4.80 -4.287747422e+00 -4.287747422e+00 4.82 -4.276172579e+00 -4.276172579e+00 4.84 -4.265233526e+00 -4.265233526e+00 4.86 -4.254799324e+00 -4.254799324e+00 4.88 -4.244732788e+00 -4.244732788e+00 4.90 -4.234892579e+00 -4.234892579e+00 4.92 -4.225135456e+00 -4.225135456e+00 4.94 -4.215110204e+00 -4.215110204e+00 4.96 -4.204454929e+00 -4.204454929e+00 4.98 -4.193008256e+00 -4.193008256e+00 5.00 -4.180611305e+00 -4.180611305e+00 5.02 -4.167116592e+00 -4.167116592e+00 5.04 -4.152399597e+00 -4.152399597e+00 5.06 -4.136372715e+00 -4.136372715e+00 5.08 -4.119001056e+00 -4.119001056e+00 5.10 -4.100319321e+00 -4.100319321e+00 5.12 -4.080448809e+00 -4.080448809e+00 5.14 -4.059505621e+00 -4.059505621e+00 5.16 -4.037367238e+00 -4.037367238e+00 5.18 -4.014201704e+00 -4.014201704e+00 5.20 -3.990230647e+00 -3.990230647e+00 5.22 -3.965691552e+00 -3.965691552e+00 5.24 -3.940825760e+00 -3.940825760e+00 5.26 -3.915867280e+00 -3.915867280e+00 5.28 -3.891033370e+00 -3.891033370e+00 5.30 -3.866517513e+00 -3.866517513e+00 5.32 -3.842485064e+00 -3.842485064e+00 5.34 -3.819071525e+00 -3.819071525e+00 5.36 -3.796383143e+00 -3.796383143e+00 5.38 -3.774499358e+00 -3.774499358e+00 5.40 -3.753476563e+00 -3.753476563e+00 5.42 -3.733352590e+00 -3.733352590e+00 5.44 -3.714151421e+00 -3.714151421e+00 5.46 -3.695887658e+00 -3.695887658e+00 5.48 -3.678570421e+00 -3.678570421e+00 5.50 -3.662206400e+00 -3.662206400e+00 5.52 -3.646801952e+00 -3.646801952e+00 5.54 -3.632364168e+00 -3.632364168e+00 5.56 -3.618900987e+00 -3.618900987e+00 5.58 -3.606420472e+00 -3.606420472e+00 5.60 -3.594929440e+00 -3.594929440e+00 5.62 -3.584431680e+00 -3.584431680e+00 5.64 -3.574925990e+00 -3.574925990e+00 5.66 -3.566404282e+00 -3.566404282e+00 5.68 -3.558849955e+00 -3.558849955e+00 5.70 -3.552236708e+00 -3.552236708e+00 5.72 -3.546527905e+00 -3.546527905e+00 5.74 -3.541676574e+00 -3.541676574e+00 5.76 -3.537626061e+00 -3.537626061e+00 5.78 -3.534311346e+00 -3.534311346e+00 5.80 -3.531660987e+00 -3.531660987e+00 5.82 -3.529599675e+00 -3.529599675e+00 5.84 -3.528051351e+00 -3.528051351e+00 5.86 -3.526942856e+00 -3.526942856e+00 5.88 -3.526208093e+00 -3.526208093e+00 5.90 -3.525792669e+00 -3.525792669e+00 5.92 -3.525659010e+00 -3.525659010e+00 5.94 -3.525659010e+00 -3.525659010e+00 5.96 -3.525659010e+00 -3.525659010e+00 5.98 -3.525659010e+00 -3.525659010e+00 6.00 -3.525659010e+00 -3.525659010e+00