# 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 = AlMgPt2 # 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 3.015203430e+02 3.015203430e+02 1.30 2.809981563e+02 2.809981563e+02 1.32 2.618376239e+02 2.618376239e+02 1.34 2.439396793e+02 2.439396793e+02 1.36 2.272161193e+02 2.272161193e+02 1.38 2.115844433e+02 2.115844433e+02 1.40 1.969662333e+02 1.969662333e+02 1.42 1.832888655e+02 1.832888655e+02 1.44 1.704859730e+02 1.704859730e+02 1.46 1.584970674e+02 1.584970674e+02 1.48 1.472681923e+02 1.472681923e+02 1.50 1.367513319e+02 1.367513319e+02 1.52 1.269010671e+02 1.269010671e+02 1.54 1.176711977e+02 1.176711977e+02 1.56 1.090140411e+02 1.090140411e+02 1.58 1.008819592e+02 1.008819592e+02 1.60 9.322940200e+01 9.322940200e+01 1.62 8.601464575e+01 8.601464575e+01 1.64 7.920135734e+01 7.920135734e+01 1.66 7.275989673e+01 7.275989673e+01 1.68 6.666771302e+01 6.666771302e+01 1.70 6.096434974e+01 6.096434974e+01 1.72 5.570403430e+01 5.570403430e+01 1.74 5.085974278e+01 5.085974278e+01 1.76 4.640190472e+01 4.640190472e+01 1.78 4.229955278e+01 4.229955278e+01 1.80 3.852200540e+01 3.852200540e+01 1.82 3.504075453e+01 3.504075453e+01 1.84 3.183085679e+01 3.183085679e+01 1.86 2.887125321e+01 2.887125321e+01 1.88 2.614403145e+01 2.614403145e+01 1.90 2.363306480e+01 2.363306480e+01 1.92 2.132271781e+01 2.132271781e+01 1.94 1.919724221e+01 1.919724221e+01 1.96 1.724104335e+01 1.724104335e+01 1.98 1.543940913e+01 1.543940913e+01 2.00 1.377911508e+01 1.377911508e+01 2.02 1.224858684e+01 1.224858684e+01 2.04 1.083769577e+01 1.083769577e+01 2.06 9.537428969e+00 9.537428969e+00 2.08 8.339603664e+00 8.339603664e+00 2.10 7.236668681e+00 7.236668681e+00 2.12 6.221573971e+00 6.221573971e+00 2.14 5.287696101e+00 5.287696101e+00 2.16 4.428815613e+00 4.428815613e+00 2.18 3.639136806e+00 3.639136806e+00 2.20 2.913327786e+00 2.913327786e+00 2.22 2.246551664e+00 2.246551664e+00 2.24 1.634475007e+00 1.634475007e+00 2.26 1.073250739e+00 1.073250739e+00 2.28 5.594805739e-01 5.594805739e-01 2.30 9.016412315e-02 9.016412315e-02 2.32 -3.373634388e-01 -3.373634388e-01 2.34 -7.254999828e-01 -7.254999828e-01 2.36 -1.076450293e+00 -1.076450293e+00 2.38 -1.392300103e+00 -1.392300103e+00 2.40 -1.675085400e+00 -1.675085400e+00 2.42 -1.926850810e+00 -1.926850810e+00 2.44 -2.149689617e+00 -2.149689617e+00 2.46 -2.346660497e+00 -2.346660497e+00 2.48 -2.521839821e+00 -2.521839821e+00 2.50 -2.676892669e+00 -2.676892669e+00 2.52 -2.813492651e+00 -2.813492651e+00 2.54 -2.933383151e+00 -2.933383151e+00 2.56 -3.038303553e+00 -3.038303553e+00 2.58 -3.129908866e+00 -3.129908866e+00 2.60 -3.209698347e+00 -3.209698347e+00 2.62 -3.278966464e+00 -3.278966464e+00 2.64 -3.338782431e+00 -3.338782431e+00 2.66 -3.389992628e+00 -3.389992628e+00 2.68 -3.433242383e+00 -3.433242383e+00 2.70 -3.469007281e+00 -3.469007281e+00 2.72 -3.497629475e+00 -3.497629475e+00 2.74 -3.519354022e+00 -3.519354022e+00 2.76 -3.534361635e+00 -3.534361635e+00 2.78 -3.542795728e+00 -3.542795728e+00 2.80 -3.544838858e+00 -3.544838858e+00 2.82 -3.541095505e+00 -3.541095505e+00 2.84 -3.531667905e+00 -3.531667905e+00 2.86 -3.516573469e+00 -3.516573469e+00 2.88 -3.495912911e+00 -3.495912911e+00 2.90 -3.469884143e+00 -3.469884143e+00 2.92 -3.438794999e+00 -3.438794999e+00 2.94 -3.403069397e+00 -3.403069397e+00 2.96 -3.363241265e+00 -3.363241265e+00 2.98 -3.319932541e+00 -3.319932541e+00 3.00 -3.273818223e+00 -3.273818223e+00 3.02 -3.225585688e+00 -3.225585688e+00 3.04 -3.175878607e+00 -3.175878607e+00 3.06 -3.125254977e+00 -3.125254977e+00 3.08 -3.074162419e+00 -3.074162419e+00 3.10 -3.022931424e+00 -3.022931424e+00 3.12 -2.971781803e+00 -2.971781803e+00 3.14 -2.920839879e+00 -2.920839879e+00 3.16 -2.870157447e+00 -2.870157447e+00 3.18 -2.819734026e+00 -2.819734026e+00 3.20 -2.769535717e+00 -2.769535717e+00 3.22 -2.719511212e+00 -2.719511212e+00 3.24 -2.669604283e+00 -2.669604283e+00 3.26 -2.619762858e+00 -2.619762858e+00 3.28 -2.569945049e+00 -2.569945049e+00 3.30 -2.520122568e+00 -2.520122568e+00 3.32 -2.470282227e+00 -2.470282227e+00 3.34 -2.420454387e+00 -2.420454387e+00 3.36 -2.370735754e+00 -2.370735754e+00 3.38 -2.321224937e+00 -2.321224937e+00 3.40 -2.272014448e+00 -2.272014448e+00 3.42 -2.223191235e+00 -2.223191235e+00 3.44 -2.174836562e+00 -2.174836562e+00 3.46 -2.127026075e+00 -2.127026075e+00 3.48 -2.079829479e+00 -2.079829479e+00 3.50 -2.033310115e+00 -2.033310115e+00 3.52 -1.987524460e+00 -1.987524460e+00 3.54 -1.942521607e+00 -1.942521607e+00 3.56 -1.898342813e+00 -1.898342813e+00 3.58 -1.855026614e+00 -1.855026614e+00 3.60 -1.812604612e+00 -1.812604612e+00 3.62 -1.771084405e+00 -1.771084405e+00 3.64 -1.730466130e+00 -1.730466130e+00 3.66 -1.690742908e+00 -1.690742908e+00 3.68 -1.651901043e+00 -1.651901043e+00 3.70 -1.613920385e+00 -1.613920385e+00 3.72 -1.576774887e+00 -1.576774887e+00 3.74 -1.540433307e+00 -1.540433307e+00 3.76 -1.504860078e+00 -1.504860078e+00 3.78 -1.470016258e+00 -1.470016258e+00 3.80 -1.435857689e+00 -1.435857689e+00 3.82 -1.402328150e+00 -1.402328150e+00 3.84 -1.369370450e+00 -1.369370450e+00 3.86 -1.336930567e+00 -1.336930567e+00 3.88 -1.304958181e+00 -1.304958181e+00 3.90 -1.273407185e+00 -1.273407185e+00 3.92 -1.242236024e+00 -1.242236024e+00 3.94 -1.211408464e+00 -1.211408464e+00 3.96 -1.180893400e+00 -1.180893400e+00 3.98 -1.150665712e+00 -1.150665712e+00 4.00 -1.120706660e+00 -1.120706660e+00 4.02 -1.091004448e+00 -1.091004448e+00 4.04 -1.061554812e+00 -1.061554812e+00 4.06 -1.032361544e+00 -1.032361544e+00 4.08 -1.003436851e+00 -1.003436851e+00 4.10 -9.748012405e-01 -9.748012405e-01 4.12 -9.464839243e-01 -9.464839243e-01 4.14 -9.185206847e-01 -9.185206847e-01 4.16 -8.909532706e-01 -8.909532706e-01 4.18 -8.638271437e-01 -8.638271437e-01 4.20 -8.371890662e-01 -8.371890662e-01 4.22 -8.110845168e-01 -8.110845168e-01 4.24 -7.855551989e-01 -7.855551989e-01 4.26 -7.606368889e-01 -7.606368889e-01 4.28 -7.363577961e-01 -7.363577961e-01 4.30 -7.127374998e-01 -7.127374998e-01 4.32 -6.897864232e-01 -6.897864232e-01 4.34 -6.675057284e-01 -6.675057284e-01 4.36 -6.458874946e-01 -6.458874946e-01 4.38 -6.249150613e-01 -6.249150613e-01 4.40 -6.045634716e-01 -6.045634716e-01 4.42 -5.847999963e-01 -5.847999963e-01 4.44 -5.655847603e-01 -5.655847603e-01 4.46 -5.468714993e-01 -5.468714993e-01 4.48 -5.286084695e-01 -5.286084695e-01 4.50 -5.107395145e-01 -5.107395145e-01 4.52 -4.932052771e-01 -4.932052771e-01 4.54 -4.759445363e-01 -4.759445363e-01 4.56 -4.588956514e-01 -4.588956514e-01 4.58 -4.419981018e-01 -4.419981018e-01 4.60 -4.251941225e-01 -4.251941225e-01 4.62 -4.084304373e-01 -4.084304373e-01 4.64 -3.916600909e-01 -3.916600909e-01 4.66 -3.748443647e-01 -3.748443647e-01 4.68 -3.579547359e-01 -3.579547359e-01 4.70 -3.409748029e-01 -3.409748029e-01 4.72 -3.239020601e-01 -3.239020601e-01 4.74 -3.067493633e-01 -3.067493633e-01 4.76 -2.895459007e-01 -2.895459007e-01 4.78 -2.723374708e-01 -2.723374708e-01 4.80 -2.551857099e-01 -2.551857099e-01 4.82 -2.381672680e-01 -2.381672680e-01 4.84 -2.213700171e-01 -2.213700171e-01 4.86 -2.048903340e-01 -2.048903340e-01 4.88 -1.888286005e-01 -1.888286005e-01 4.90 -1.732845013e-01 -1.732845013e-01 4.92 -1.583522896e-01 -1.583522896e-01 4.94 -1.441164240e-01 -1.441164240e-01 4.96 -1.306479420e-01 -1.306479420e-01 4.98 -1.180018401e-01 -1.180018401e-01 5.00 -1.062156026e-01 -1.062156026e-01 5.02 -9.530888902e-02 -9.530888902e-02 5.04 -8.528426673e-02 -8.528426673e-02 5.06 -7.612878934e-02 -7.612878934e-02 5.08 -6.781617262e-02 -6.781617262e-02 5.10 -6.030931143e-02 -6.030931143e-02 5.12 -5.356290338e-02 -5.356290338e-02 5.14 -4.752598630e-02 -4.752598630e-02 5.16 -4.214425835e-02 -4.214425835e-02 5.18 -3.736208556e-02 -3.736208556e-02 5.20 -3.312412622e-02 -3.312412622e-02 5.22 -2.937664304e-02 -2.937664304e-02 5.24 -2.606845992e-02 -2.606845992e-02 5.26 -2.315141726e-02 -2.315141726e-02 5.28 -2.058037902e-02 -2.058037902e-02 5.30 -1.831551764e-02 -1.831551764e-02 5.32 -1.632060263e-02 -1.632060263e-02 5.34 -1.456288521e-02 -1.456288521e-02 5.36 -1.301332032e-02 -1.301332032e-02 5.38 -1.164612804e-02 -1.164612804e-02 5.40 -1.043858826e-02 -1.043858826e-02 5.42 -9.370799222e-03 -9.370799222e-03 5.44 -8.425411463e-03 -8.425411463e-03 5.46 -7.587353753e-03 -7.587353753e-03 5.48 -6.843562791e-03 -6.843562791e-03 5.50 -6.182933252e-03 -6.182933252e-03 5.52 -5.595740367e-03 -5.595740367e-03 5.54 -5.073349960e-03 -5.073349960e-03 5.56 -4.608259931e-03 -4.608259931e-03 5.58 -4.193920852e-03 -4.193920852e-03 5.60 -3.824585208e-03 -3.824585208e-03 5.62 -3.495183046e-03 -3.495183046e-03 5.64 -3.201221056e-03 -3.201221056e-03 5.66 -2.938701656e-03 -2.938701656e-03 5.68 -2.704058461e-03 -2.704058461e-03 5.70 -2.494104666e-03 -2.494104666e-03 5.72 -2.305991209e-03 -2.305991209e-03 5.74 -2.137172104e-03 -2.137172104e-03 5.76 -1.985374880e-03 -1.985374880e-03 5.78 -1.848574641e-03 -1.848574641e-03 5.80 -1.724970710e-03 -1.724970710e-03 5.82 -1.612965203e-03 -1.612965203e-03 5.84 -1.511143194e-03 -1.511143194e-03 5.86 -1.418254274e-03 -1.418254274e-03 5.88 -1.333195439e-03 -1.333195439e-03 5.90 -1.254995319e-03 -1.254995319e-03 5.92 -1.182799739e-03 -1.182799739e-03 5.94 -1.115858640e-03 -1.115858640e-03 5.96 -1.053514341e-03 -1.053514341e-03 5.98 -9.951911254e-04 -9.951911254e-04 6.00 -9.403861044e-04 -9.403861044e-04