# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AlMo2Ti # 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 2024-04-11 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 2.306977189e+02 2.306977189e+02 1.30 2.138776000e+02 2.138776000e+02 1.32 1.983089615e+02 1.983089615e+02 1.34 1.838826243e+02 1.838826243e+02 1.36 1.704991857e+02 1.704991857e+02 1.38 1.580700909e+02 1.580700909e+02 1.40 1.465172133e+02 1.465172133e+02 1.42 1.357711783e+02 1.357711783e+02 1.44 1.257694859e+02 1.257694859e+02 1.46 1.164553144e+02 1.164553144e+02 1.48 1.077772431e+02 1.077772431e+02 1.50 9.968946782e+01 9.968946782e+01 1.52 9.215174689e+01 9.215174689e+01 1.54 8.512867994e+01 8.512867994e+01 1.56 7.858857259e+01 7.858857259e+01 1.58 7.250230827e+01 7.250230827e+01 1.60 6.684240603e+01 6.684240603e+01 1.62 6.158229382e+01 6.158229382e+01 1.64 5.669582261e+01 5.669582261e+01 1.66 5.215705743e+01 5.215705743e+01 1.68 4.794038992e+01 4.794038992e+01 1.70 4.402095952e+01 4.402095952e+01 1.72 4.037522819e+01 4.037522819e+01 1.74 3.698147217e+01 3.698147217e+01 1.76 3.382003029e+01 3.382003029e+01 1.78 3.087337844e+01 3.087337844e+01 1.80 2.812923114e+01 2.812923114e+01 1.82 2.557544810e+01 2.557544810e+01 1.84 2.319977662e+01 2.319977662e+01 1.86 2.099268265e+01 2.099268265e+01 1.88 1.894393688e+01 1.894393688e+01 1.90 1.704380847e+01 1.704380847e+01 1.92 1.528304521e+01 1.528304521e+01 1.94 1.365266833e+01 1.365266833e+01 1.96 1.214390238e+01 1.214390238e+01 1.98 1.074822304e+01 1.074822304e+01 2.00 9.457451186e+00 9.457451186e+00 2.02 8.263820454e+00 8.263820454e+00 2.04 7.159988884e+00 7.159988884e+00 2.06 6.139009999e+00 6.139009999e+00 2.08 5.194299660e+00 5.194299660e+00 2.10 4.319629740e+00 4.319629740e+00 2.12 3.509158563e+00 3.509158563e+00 2.14 2.757486783e+00 2.757486783e+00 2.16 2.059717326e+00 2.059717326e+00 2.18 1.411496243e+00 1.411496243e+00 2.20 8.090176976e-01 8.090176976e-01 2.22 2.489871192e-01 2.489871192e-01 2.24 -2.714492894e-01 -2.714492894e-01 2.26 -7.547912775e-01 -7.547912775e-01 2.28 -1.203268010e+00 -1.203268010e+00 2.30 -1.618903539e+00 -1.618903539e+00 2.32 -2.003559324e+00 -2.003559324e+00 2.34 -2.358955691e+00 -2.358955691e+00 2.36 -2.686682813e+00 -2.686682813e+00 2.38 -2.988210759e+00 -2.988210759e+00 2.40 -3.264905269e+00 -3.264905269e+00 2.42 -3.518048740e+00 -3.518048740e+00 2.44 -3.748861501e+00 -3.748861501e+00 2.46 -3.958518778e+00 -3.958518778e+00 2.48 -4.148160822e+00 -4.148160822e+00 2.50 -4.318896688e+00 -4.318896688e+00 2.52 -4.471804009e+00 -4.471804009e+00 2.54 -4.607927890e+00 -4.607927890e+00 2.56 -4.728280974e+00 -4.728280974e+00 2.58 -4.833834980e+00 -4.833834980e+00 2.60 -4.925297758e+00 -4.925297758e+00 2.62 -5.003668951e+00 -5.003668951e+00 2.64 -5.070039375e+00 -5.070039375e+00 2.66 -5.125386427e+00 -5.125386427e+00 2.68 -5.170565264e+00 -5.170565264e+00 2.70 -5.206312847e+00 -5.206312847e+00 2.72 -5.233265526e+00 -5.233265526e+00 2.74 -5.251988538e+00 -5.251988538e+00 2.76 -5.262884200e+00 -5.262884200e+00 2.78 -5.265930334e+00 -5.265930334e+00 2.80 -5.261106748e+00 -5.261106748e+00 2.82 -5.248472615e+00 -5.248472615e+00 2.84 -5.228160271e+00 -5.228160271e+00 2.86 -5.200371670e+00 -5.200371670e+00 2.88 -5.165377833e+00 -5.165377833e+00 2.90 -5.123520452e+00 -5.123520452e+00 2.92 -5.075514339e+00 -5.075514339e+00 2.94 -5.022307807e+00 -5.022307807e+00 2.96 -4.964105391e+00 -4.964105391e+00 2.98 -4.901197778e+00 -4.901197778e+00 3.00 -4.833972400e+00 -4.833972400e+00 3.02 -4.762885806e+00 -4.762885806e+00 3.04 -4.688430222e+00 -4.688430222e+00 3.06 -4.611096651e+00 -4.611096651e+00 3.08 -4.531345935e+00 -4.531345935e+00 3.10 -4.449586635e+00 -4.449586635e+00 3.12 -4.366133911e+00 -4.366133911e+00 3.14 -4.281198113e+00 -4.281198113e+00 3.16 -4.194888105e+00 -4.194888105e+00 3.18 -4.107225316e+00 -4.107225316e+00 3.20 -4.018163992e+00 -4.018163992e+00 3.22 -3.927614592e+00 -3.927614592e+00 3.24 -3.835467702e+00 -3.835467702e+00 3.26 -3.741616886e+00 -3.741616886e+00 3.28 -3.645979749e+00 -3.645979749e+00 3.30 -3.548516892e+00 -3.548516892e+00 3.32 -3.449248486e+00 -3.449248486e+00 3.34 -3.348268016e+00 -3.348268016e+00 3.36 -3.245752427e+00 -3.245752427e+00 3.38 -3.141967710e+00 -3.141967710e+00 3.40 -3.037268913e+00 -3.037268913e+00 3.42 -2.932093934e+00 -2.932093934e+00 3.44 -2.826950673e+00 -2.826950673e+00 3.46 -2.722398382e+00 -2.722398382e+00 3.48 -2.619024265e+00 -2.619024265e+00 3.50 -2.517417330e+00 -2.517417330e+00 3.52 -2.418141755e+00 -2.418141755e+00 3.54 -2.321712025e+00 -2.321712025e+00 3.56 -2.228571880e+00 -2.228571880e+00 3.58 -2.139078611e+00 -2.139078611e+00 3.60 -2.053493696e+00 -2.053493696e+00 3.62 -1.971980109e+00 -1.971980109e+00 3.64 -1.894605963e+00 -1.894605963e+00 3.66 -1.821353494e+00 -1.821353494e+00 3.68 -1.752131908e+00 -1.752131908e+00 3.70 -1.686792355e+00 -1.686792355e+00 3.72 -1.625143365e+00 -1.625143365e+00 3.74 -1.566965380e+00 -1.566965380e+00 3.76 -1.512023460e+00 -1.512023460e+00 3.78 -1.460077686e+00 -1.460077686e+00 3.80 -1.410891162e+00 -1.410891162e+00 3.82 -1.364235763e+00 -1.364235763e+00 3.84 -1.319895943e+00 -1.319895943e+00 3.86 -1.277670950e+00 -1.277670950e+00 3.88 -1.237375818e+00 -1.237375818e+00 3.90 -1.198841456e+00 -1.198841456e+00 3.92 -1.161914088e+00 -1.161914088e+00 3.94 -1.126454445e+00 -1.126454445e+00 3.96 -1.092336442e+00 -1.092336442e+00 3.98 -1.059446094e+00 -1.059446094e+00 4.00 -1.027680292e+00 -1.027680292e+00 4.02 -9.969457160e-01 -9.969457160e-01 4.04 -9.671579110e-01 -9.671579110e-01 4.06 -9.382405472e-01 -9.382405472e-01 4.08 -9.101249013e-01 -9.101249013e-01 4.10 -8.827494709e-01 -8.827494709e-01 4.12 -8.560602750e-01 -8.560602750e-01 4.14 -8.300103768e-01 -8.300103768e-01 4.16 -8.045605690e-01 -8.045605690e-01 4.18 -7.796796087e-01 -7.796796087e-01 4.20 -7.553445466e-01 -7.553445466e-01 4.22 -7.315409227e-01 -7.315409227e-01 4.24 -7.082627018e-01 -7.082627018e-01 4.26 -6.855118268e-01 -6.855118268e-01 4.28 -6.632973014e-01 -6.632973014e-01 4.30 -6.416337680e-01 -6.416337680e-01 4.32 -6.205396209e-01 -6.205396209e-01 4.34 -6.000347779e-01 -6.000347779e-01 4.36 -5.801383023e-01 -5.801383023e-01 4.38 -5.608661084e-01 -5.608661084e-01 4.40 -5.422289820e-01 -5.422289820e-01 4.42 -5.242311023e-01 -5.242311023e-01 4.44 -5.068691777e-01 -5.068691777e-01 4.46 -4.901322138e-01 -4.901322138e-01 4.48 -4.740018524e-01 -4.740018524e-01 4.50 -4.584531561e-01 -4.584531561e-01 4.52 -4.434556884e-01 -4.434556884e-01 4.54 -4.289747351e-01 -4.289747351e-01 4.56 -4.149725361e-01 -4.149725361e-01 4.58 -4.014094403e-01 -4.014094403e-01 4.60 -3.882449237e-01 -3.882449237e-01 4.62 -3.754383250e-01 -3.754383250e-01 4.64 -3.629496557e-01 -3.629496557e-01 4.66 -3.507406277e-01 -3.507406277e-01 4.68 -3.387746519e-01 -3.387746519e-01 4.70 -3.270173415e-01 -3.270173415e-01 4.72 -3.154370109e-01 -3.154370109e-01 4.74 -3.040051789e-01 -3.040051789e-01 4.76 -2.926971028e-01 -2.926971028e-01 4.78 -2.814923504e-01 -2.814923504e-01 4.80 -2.703753555e-01 -2.703753555e-01 4.82 -2.593362260e-01 -2.593362260e-01 4.84 -2.483710025e-01 -2.483710025e-01 4.86 -2.374823461e-01 -2.374823461e-01 4.88 -2.266797815e-01 -2.266797815e-01 4.90 -2.159797521e-01 -2.159797521e-01 4.92 -2.054053586e-01 -2.054053586e-01 4.94 -1.949857296e-01 -1.949857296e-01 4.96 -1.847550000e-01 -1.847550000e-01 4.98 -1.747509216e-01 -1.747509216e-01 5.00 -1.650131669e-01 -1.650131669e-01 5.02 -1.555814332e-01 -1.555814332e-01 5.04 -1.464934897e-01 -1.464934897e-01 5.06 -1.377833259e-01 -1.377833259e-01 5.08 -1.294794934e-01 -1.294794934e-01 5.10 -1.216038623e-01 -1.216038623e-01 5.12 -1.141711972e-01 -1.141711972e-01 5.14 -1.071886182e-01 -1.071886182e-01 5.16 -1.006557702e-01 -1.006557702e-01 5.18 -9.456540780e-02 -9.456540780e-02 5.20 -8.890427252e-02 -8.890427252e-02 5.22 -8.365415378e-02 -8.365415378e-02 5.24 -7.879302466e-02 -7.879302466e-02 5.26 -7.429616193e-02 -7.429616193e-02 5.28 -7.013718094e-02 -7.013718094e-02 5.30 -6.628894014e-02 -6.628894014e-02 5.32 -6.272429198e-02 -6.272429198e-02 5.34 -5.941667551e-02 -5.941667551e-02 5.36 -5.634055892e-02 -5.634055892e-02 5.38 -5.347174917e-02 -5.347174917e-02 5.40 -5.078758957e-02 -5.078758957e-02 5.42 -4.826706978e-02 -4.826706978e-02 5.44 -4.589087026e-02 -4.589087026e-02 5.46 -4.364135752e-02 -4.364135752e-02 5.48 -4.150255179e-02 -4.150255179e-02 5.50 -3.946007964e-02 -3.946007964e-02 5.52 -3.750112277e-02 -3.750112277e-02 5.54 -3.561437086e-02 -3.561437086e-02 5.56 -3.378998388e-02 -3.378998388e-02 5.58 -3.201956522e-02 -3.201956522e-02 5.60 -3.029614420e-02 -3.029614420e-02 5.62 -2.861417054e-02 -2.861417054e-02 5.64 -2.696950934e-02 -2.696950934e-02 5.66 -2.535943064e-02 -2.535943064e-02 5.68 -2.378258457e-02 -2.378258457e-02 5.70 -2.223895206e-02 -2.223895206e-02 5.72 -2.072976164e-02 -2.072976164e-02 5.74 -1.925736484e-02 -1.925736484e-02 5.76 -1.782506607e-02 -1.782506607e-02 5.78 -1.643682583e-02 -1.643682583e-02 5.80 -1.509702108e-02 -1.509702108e-02 5.82 -1.381046632e-02 -1.381046632e-02 5.84 -1.258188768e-02 -1.258188768e-02 5.86 -1.141563191e-02 -1.141563191e-02 5.88 -1.031541620e-02 -1.031541620e-02 5.90 -9.284126176e-03 -9.284126176e-03 5.92 -8.323674881e-03 -8.323674881e-03 5.94 -7.434929101e-03 -7.434929101e-03 5.96 -6.617702580e-03 -6.617702580e-03 5.98 -5.870809313e-03 -5.870809313e-03 6.00 -5.192165514e-03 -5.192165514e-03