# 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 = Al2PtW # 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 2.439650340e+02 2.439650340e+02 1.30 2.270984131e+02 2.270984131e+02 1.32 2.113382941e+02 2.113382941e+02 1.34 1.966307661e+02 1.966307661e+02 1.36 1.829328266e+02 1.829328266e+02 1.38 1.701960512e+02 1.701960512e+02 1.40 1.583582464e+02 1.583582464e+02 1.42 1.473462404e+02 1.473462404e+02 1.44 1.370850875e+02 1.370850875e+02 1.46 1.275069424e+02 1.275069424e+02 1.48 1.185549780e+02 1.185549780e+02 1.50 1.101816469e+02 1.101816469e+02 1.52 1.023443128e+02 1.023443128e+02 1.54 9.500203361e+01 9.500203361e+01 1.56 8.811491569e+01 8.811491569e+01 1.58 8.164505357e+01 8.164505357e+01 1.60 7.555768951e+01 7.555768951e+01 1.62 6.982207591e+01 6.982207591e+01 1.64 6.441212270e+01 6.441212270e+01 1.66 5.930682311e+01 5.930682311e+01 1.68 5.449016006e+01 5.449016006e+01 1.70 4.995024124e+01 4.995024124e+01 1.72 4.567797123e+01 4.567797123e+01 1.74 4.166524245e+01 4.166524245e+01 1.76 3.790251483e+01 3.790251483e+01 1.78 3.440685056e+01 3.440685056e+01 1.80 3.119673673e+01 3.119673673e+01 1.82 2.824679836e+01 2.824679836e+01 1.84 2.553553952e+01 2.553553952e+01 1.86 2.304236913e+01 2.304236913e+01 1.88 2.074714555e+01 2.074714555e+01 1.90 1.863199993e+01 1.863199993e+01 1.92 1.668125982e+01 1.668125982e+01 1.94 1.488132477e+01 1.488132477e+01 1.96 1.322044320e+01 1.322044320e+01 1.98 1.168836555e+01 1.168836555e+01 2.00 1.027592101e+01 1.027592101e+01 2.02 8.974619197e+00 8.974619197e+00 2.04 7.776373799e+00 7.776373799e+00 2.06 6.673379992e+00 6.673379992e+00 2.08 5.658105075e+00 5.658105075e+00 2.10 4.723328055e+00 4.723328055e+00 2.12 3.862189571e+00 3.862189571e+00 2.14 3.068247665e+00 3.068247665e+00 2.16 2.335545708e+00 2.335545708e+00 2.18 1.658686766e+00 1.658686766e+00 2.20 1.032893114e+00 1.032893114e+00 2.22 4.540275863e-01 4.540275863e-01 2.24 -8.143344634e-02 -8.143344634e-02 2.26 -5.764683098e-01 -5.764683098e-01 2.28 -1.033601673e+00 -1.033601673e+00 2.30 -1.455001238e+00 -1.455001238e+00 2.32 -1.842567416e+00 -1.842567416e+00 2.34 -2.198010522e+00 -2.198010522e+00 2.36 -2.522880739e+00 -2.522880739e+00 2.38 -2.818648407e+00 -2.818648407e+00 2.40 -3.086851151e+00 -3.086851151e+00 2.42 -3.329006018e+00 -3.329006018e+00 2.44 -3.546618258e+00 -3.546618258e+00 2.46 -3.741182758e+00 -3.741182758e+00 2.48 -3.914181188e+00 -3.914181188e+00 2.50 -4.067082236e+00 -4.067082236e+00 2.52 -4.201348276e+00 -4.201348276e+00 2.54 -4.318417306e+00 -4.318417306e+00 2.56 -4.420676499e+00 -4.420676499e+00 2.58 -4.509660988e+00 -4.509660988e+00 2.60 -4.586302415e+00 -4.586302415e+00 2.62 -4.651565868e+00 -4.651565868e+00 2.64 -4.706396444e+00 -4.706396444e+00 2.66 -4.751661683e+00 -4.751661683e+00 2.68 -4.788102874e+00 -4.788102874e+00 2.70 -4.816307085e+00 -4.816307085e+00 2.72 -4.836705206e+00 -4.836705206e+00 2.74 -4.849592350e+00 -4.849592350e+00 2.76 -4.855161342e+00 -4.855161342e+00 2.78 -4.853539449e+00 -4.853539449e+00 2.80 -4.844821759e+00 -4.844821759e+00 2.82 -4.829098709e+00 -4.829098709e+00 2.84 -4.806478692e+00 -4.806478692e+00 2.86 -4.777107837e+00 -4.777107837e+00 2.88 -4.741189013e+00 -4.741189013e+00 2.90 -4.699000618e+00 -4.699000618e+00 2.92 -4.650913809e+00 -4.650913809e+00 2.94 -4.597830518e+00 -4.597830518e+00 2.96 -4.541270831e+00 -4.541270831e+00 2.98 -4.481546282e+00 -4.481546282e+00 3.00 -4.419021671e+00 -4.419021671e+00 3.02 -4.354146726e+00 -4.354146726e+00 3.04 -4.287408142e+00 -4.287408142e+00 3.06 -4.219283410e+00 -4.219283410e+00 3.08 -4.150201984e+00 -4.150201984e+00 3.10 -4.080517858e+00 -4.080517858e+00 3.12 -4.010507266e+00 -4.010507266e+00 3.14 -3.940372078e+00 -3.940372078e+00 3.16 -3.870218775e+00 -3.870218775e+00 3.18 -3.800069159e+00 -3.800069159e+00 3.20 -3.729878023e+00 -3.729878023e+00 3.22 -3.659570831e+00 -3.659570831e+00 3.24 -3.589104295e+00 -3.589104295e+00 3.26 -3.518404672e+00 -3.518404672e+00 3.28 -3.447373693e+00 -3.447373693e+00 3.30 -3.375913030e+00 -3.375913030e+00 3.32 -3.303942544e+00 -3.303942544e+00 3.34 -3.231413659e+00 -3.231413659e+00 3.36 -3.158318846e+00 -3.158318846e+00 3.38 -3.084697728e+00 -3.084697728e+00 3.40 -3.010639975e+00 -3.010639975e+00 3.42 -2.936284959e+00 -2.936284959e+00 3.44 -2.861818024e+00 -2.861818024e+00 3.46 -2.787463520e+00 -2.787463520e+00 3.48 -2.713474905e+00 -2.713474905e+00 3.50 -2.640122638e+00 -2.640122638e+00 3.52 -2.567680871e+00 -2.567680871e+00 3.54 -2.496414116e+00 -2.496414116e+00 3.56 -2.426565081e+00 -2.426565081e+00 3.58 -2.358344653e+00 -2.358344653e+00 3.60 -2.291924724e+00 -2.291924724e+00 3.62 -2.227434105e+00 -2.227434105e+00 3.64 -2.164957465e+00 -2.164957465e+00 3.66 -2.104536859e+00 -2.104536859e+00 3.68 -2.046175283e+00 -2.046175283e+00 3.70 -1.989841583e+00 -1.989841583e+00 3.72 -1.935476084e+00 -1.935476084e+00 3.74 -1.882996422e+00 -1.882996422e+00 3.76 -1.832303157e+00 -1.832303157e+00 3.78 -1.783284895e+00 -1.783284895e+00 3.80 -1.735822770e+00 -1.735822770e+00 3.82 -1.689794213e+00 -1.689794213e+00 3.84 -1.645076013e+00 -1.645076013e+00 3.86 -1.601546729e+00 -1.601546729e+00 3.88 -1.559088520e+00 -1.559088520e+00 3.90 -1.517588504e+00 -1.517588504e+00 3.92 -1.476939738e+00 -1.476939738e+00 3.94 -1.437041989e+00 -1.437041989e+00 3.96 -1.397802278e+00 -1.397802278e+00 3.98 -1.359135497e+00 -1.359135497e+00 4.00 -1.320965043e+00 -1.320965043e+00 4.02 -1.283223632e+00 -1.283223632e+00 4.04 -1.245854313e+00 -1.245854313e+00 4.06 -1.208811698e+00 -1.208811698e+00 4.08 -1.172063345e+00 -1.172063345e+00 4.10 -1.135591165e+00 -1.135591165e+00 4.12 -1.099392797e+00 -1.099392797e+00 4.14 -1.063482397e+00 -1.063482397e+00 4.16 -1.027891066e+00 -1.027891066e+00 4.18 -9.926663418e-01 -9.926663418e-01 4.20 -9.578707808e-01 -9.578707808e-01 4.22 -9.235795540e-01 -9.235795540e-01 4.24 -8.898771498e-01 -8.898771498e-01 4.26 -8.568533680e-01 -8.568533680e-01 4.28 -8.245988705e-01 -8.245988705e-01 4.30 -7.932005858e-01 -7.932005858e-01 4.32 -7.627372699e-01 -7.627372699e-01 4.34 -7.332755013e-01 -7.332755013e-01 4.36 -7.048663552e-01 -7.048663552e-01 4.38 -6.775429559e-01 -6.775429559e-01 4.40 -6.513190460e-01 -6.513190460e-01 4.42 -6.261886358e-01 -6.261886358e-01 4.44 -6.021267028e-01 -6.021267028e-01 4.46 -5.790908208e-01 -5.790908208e-01 4.48 -5.570235214e-01 -5.570235214e-01 4.50 -5.358551456e-01 -5.358551456e-01 4.52 -5.155069354e-01 -5.155069354e-01 4.54 -4.958941443e-01 -4.958941443e-01 4.56 -4.769289977e-01 -4.769289977e-01 4.58 -4.585233979e-01 -4.585233979e-01 4.60 -4.405913291e-01 -4.405913291e-01 4.62 -4.230509642e-01 -4.230509642e-01 4.64 -4.058265074e-01 -4.058265074e-01 4.66 -3.888498171e-01 -3.888498171e-01 4.68 -3.720618491e-01 -3.720618491e-01 4.70 -3.554139419e-01 -3.554139419e-01 4.72 -3.388689397e-01 -3.388689397e-01 4.74 -3.224021219e-01 -3.224021219e-01 4.76 -3.060018807e-01 -3.060018807e-01 4.78 -2.896700726e-01 -2.896700726e-01 4.80 -2.734219545e-01 -2.734219545e-01 4.82 -2.572857083e-01 -2.572857083e-01 4.84 -2.413013328e-01 -2.413013328e-01 4.86 -2.255191486e-01 -2.255191486e-01 4.88 -2.099977694e-01 -2.099977694e-01 4.90 -1.948017028e-01 -1.948017028e-01 4.92 -1.799986882e-01 -1.799986882e-01 4.94 -1.656569143e-01 -1.656569143e-01 4.96 -1.518422663e-01 -1.518422663e-01 4.98 -1.386157460e-01 -1.386157460e-01 5.00 -1.260311934e-01 -1.260311934e-01 5.02 -1.141334234e-01 -1.141334234e-01 5.04 -1.029568502e-01 -1.029568502e-01 5.06 -9.252463558e-02 -9.252463558e-02 5.08 -8.284839380e-02 -8.284839380e-02 5.10 -7.392841969e-02 -7.392841969e-02 5.12 -6.575442191e-02 -6.575442191e-02 5.14 -5.830662439e-02 -5.830662439e-02 5.16 -5.155710511e-02 -5.155710511e-02 5.18 -4.547096766e-02 -4.547096766e-02 5.20 -4.000913035e-02 -4.000913035e-02 5.22 -3.512920841e-02 -3.512920841e-02 5.24 -3.078678787e-02 -3.078678787e-02 5.26 -2.693678310e-02 -2.693678310e-02 5.28 -2.353456205e-02 -2.353456205e-02 5.30 -2.053685499e-02 -2.053685499e-02 5.32 -1.790241681e-02 -1.790241681e-02 5.34 -1.559249448e-02 -1.559249448e-02 5.36 -1.357112744e-02 -1.357112744e-02 5.38 -1.180568914e-02 -1.180568914e-02 5.40 -1.026604339e-02 -1.026604339e-02 5.42 -8.924751345e-03 -8.924751345e-03 5.44 -7.757323495e-03 -7.757323495e-03 5.46 -6.741994037e-03 -6.741994037e-03 5.48 -5.859491638e-03 -5.859491638e-03 5.50 -5.092812132e-03 -5.092812132e-03 5.52 -4.426997751e-03 -4.426997751e-03 5.54 -3.848926457e-03 -3.848926457e-03 5.56 -3.347113930e-03 -3.347113930e-03 5.58 -2.911529840e-03 -2.911529840e-03 5.60 -2.533429244e-03 -2.533429244e-03 5.62 -2.205199337e-03 -2.205199337e-03 5.64 -1.920221266e-03 -1.920221266e-03 5.66 -1.672746407e-03 -1.672746407e-03 5.68 -1.457786224e-03 -1.457786224e-03 5.70 -1.271014745e-03 -1.271014745e-03 5.72 -1.108682559e-03 -1.108682559e-03 5.74 -9.675412648e-04 -9.675412648e-04 5.76 -8.447773027e-04 -8.447773027e-04 5.78 -7.379541667e-04 -7.379541667e-04 5.80 -6.449620398e-04 -6.449620398e-04 5.82 -5.639739858e-04 -5.639739858e-04 5.84 -4.934079039e-04 -4.934079039e-04 5.86 -4.318935289e-04 -4.318935289e-04 5.88 -3.782438399e-04 -3.782438399e-04 5.90 -3.314303086e-04 -3.314303086e-04 5.92 -2.905614868e-04 -2.905614868e-04 5.94 -2.548644914e-04 -2.548644914e-04 5.96 -2.236690013e-04 -2.236690013e-04 5.98 -1.963934288e-04 -1.963934288e-04 6.00 -1.725329730e-04 -1.725329730e-04