# 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 = AuCo2W # 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 2.638496513e+02 2.638496513e+02 1.30 2.431114533e+02 2.431114533e+02 1.32 2.239722056e+02 2.239722056e+02 1.34 2.063104055e+02 2.063104055e+02 1.36 1.900157725e+02 1.900157725e+02 1.38 1.749851320e+02 1.749851320e+02 1.40 1.611197889e+02 1.611197889e+02 1.42 1.483250057e+02 1.483250057e+02 1.44 1.365109774e+02 1.365109774e+02 1.46 1.255943116e+02 1.255943116e+02 1.48 1.154991365e+02 1.154991365e+02 1.50 1.061573305e+02 1.061573305e+02 1.52 9.750797695e+01 9.750797695e+01 1.54 8.949650256e+01 8.949650256e+01 1.56 8.207380465e+01 8.207380465e+01 1.58 7.519543448e+01 7.519543448e+01 1.60 6.882085932e+01 6.882085932e+01 1.62 6.291286907e+01 6.291286907e+01 1.64 5.743716896e+01 5.743716896e+01 1.66 5.236213558e+01 5.236213558e+01 1.68 4.765867103e+01 4.765867103e+01 1.70 4.330007413e+01 4.330007413e+01 1.72 3.926184761e+01 3.926184761e+01 1.74 3.552180110e+01 3.552180110e+01 1.76 3.205927158e+01 3.205927158e+01 1.78 2.886234780e+01 2.886234780e+01 1.80 2.591853678e+01 2.591853678e+01 1.82 2.320931317e+01 2.320931317e+01 1.84 2.071692460e+01 2.071692460e+01 1.86 1.842420130e+01 1.842420130e+01 1.88 1.631550974e+01 1.631550974e+01 1.90 1.437668029e+01 1.437668029e+01 1.92 1.259482542e+01 1.259482542e+01 1.94 1.095813941e+01 1.095813941e+01 1.96 9.455746933e+00 9.455746933e+00 1.98 8.077602534e+00 8.077602534e+00 2.00 6.814405954e+00 6.814405954e+00 2.02 5.657511226e+00 5.657511226e+00 2.04 4.598831952e+00 4.598831952e+00 2.06 3.630753298e+00 3.630753298e+00 2.08 2.746062475e+00 2.746062475e+00 2.10 1.937910946e+00 1.937910946e+00 2.12 1.199817365e+00 1.199817365e+00 2.14 5.257084416e-01 5.257084416e-01 2.16 -9.001841470e-02 -9.001841470e-02 2.18 -6.524350416e-01 -6.524350416e-01 2.20 -1.166049086e+00 -1.166049086e+00 2.22 -1.634811595e+00 -1.634811595e+00 2.24 -2.062165144e+00 -2.062165144e+00 2.26 -2.451119364e+00 -2.451119364e+00 2.28 -2.804307313e+00 -2.804307313e+00 2.30 -3.124036318e+00 -3.124036318e+00 2.32 -3.412622870e+00 -3.412622870e+00 2.34 -3.672214897e+00 -3.672214897e+00 2.36 -3.904804203e+00 -3.904804203e+00 2.38 -4.112256134e+00 -4.112256134e+00 2.40 -4.296329046e+00 -4.296329046e+00 2.42 -4.458659711e+00 -4.458659711e+00 2.44 -4.600533446e+00 -4.600533446e+00 2.46 -4.723081212e+00 -4.723081212e+00 2.48 -4.827457891e+00 -4.827457891e+00 2.50 -4.914824065e+00 -4.914824065e+00 2.52 -4.986330973e+00 -4.986330973e+00 2.54 -5.043112130e+00 -5.043112130e+00 2.56 -5.086281110e+00 -5.086281110e+00 2.58 -5.116930994e+00 -5.116930994e+00 2.60 -5.136128070e+00 -5.136128070e+00 2.62 -5.144894640e+00 -5.144894640e+00 2.64 -5.144183021e+00 -5.144183021e+00 2.66 -5.134907256e+00 -5.134907256e+00 2.68 -5.117831670e+00 -5.117831670e+00 2.70 -5.093506581e+00 -5.093506581e+00 2.72 -5.062500162e+00 -5.062500162e+00 2.74 -5.025162801e+00 -5.025162801e+00 2.76 -4.981758935e+00 -4.981758935e+00 2.78 -4.932552357e+00 -4.932552357e+00 2.80 -4.877810033e+00 -4.877810033e+00 2.82 -4.817788575e+00 -4.817788575e+00 2.84 -4.752649325e+00 -4.752649325e+00 2.86 -4.682526415e+00 -4.682526415e+00 2.88 -4.607589935e+00 -4.607589935e+00 2.90 -4.528054989e+00 -4.528054989e+00 2.92 -4.444185591e+00 -4.444185591e+00 2.94 -4.356299881e+00 -4.356299881e+00 2.96 -4.264774756e+00 -4.264774756e+00 2.98 -4.170047582e+00 -4.170047582e+00 3.00 -4.072612500e+00 -4.072612500e+00 3.02 -3.973009317e+00 -3.973009317e+00 3.04 -3.871804162e+00 -3.871804162e+00 3.06 -3.769563063e+00 -3.769563063e+00 3.08 -3.666821803e+00 -3.666821803e+00 3.10 -3.564057089e+00 -3.564057089e+00 3.12 -3.461664155e+00 -3.461664155e+00 3.14 -3.359944465e+00 -3.359944465e+00 3.16 -3.259104550e+00 -3.259104550e+00 3.18 -3.159264642e+00 -3.159264642e+00 3.20 -3.060474123e+00 -3.060474123e+00 3.22 -2.962730531e+00 -2.962730531e+00 3.24 -2.865999300e+00 -2.865999300e+00 3.26 -2.770232329e+00 -2.770232329e+00 3.28 -2.675384279e+00 -2.675384279e+00 3.30 -2.581426163e+00 -2.581426163e+00 3.32 -2.488356085e+00 -2.488356085e+00 3.34 -2.396207130e+00 -2.396207130e+00 3.36 -2.305052366e+00 -2.305052366e+00 3.38 -2.215006862e+00 -2.215006862e+00 3.40 -2.126226597e+00 -2.126226597e+00 3.42 -2.038904206e+00 -2.038904206e+00 3.44 -1.953261674e+00 -1.953261674e+00 3.46 -1.869540349e+00 -1.869540349e+00 3.48 -1.787988985e+00 -1.787988985e+00 3.50 -1.708850771e+00 -1.708850771e+00 3.52 -1.632350496e+00 -1.632350496e+00 3.54 -1.558683027e+00 -1.558683027e+00 3.56 -1.488004107e+00 -1.488004107e+00 3.58 -1.420424174e+00 -1.420424174e+00 3.60 -1.356005516e+00 -1.356005516e+00 3.62 -1.294762670e+00 -1.294762670e+00 3.64 -1.236665627e+00 -1.236665627e+00 3.66 -1.181645176e+00 -1.181645176e+00 3.68 -1.129599622e+00 -1.129599622e+00 3.70 -1.080402119e+00 -1.080402119e+00 3.72 -1.033907963e+00 -1.033907963e+00 3.74 -9.899613520e-01 -9.899613520e-01 3.76 -9.484012733e-01 -9.484012733e-01 3.78 -9.090663509e-01 -9.090663509e-01 3.80 -8.717986074e-01 -8.717986074e-01 3.82 -8.364461979e-01 -8.364461979e-01 3.84 -8.028652349e-01 -8.028652349e-01 3.86 -7.709208519e-01 -7.709208519e-01 3.88 -7.404876667e-01 -7.404876667e-01 3.90 -7.114497939e-01 -7.114497939e-01 3.92 -6.837005414e-01 -6.837005414e-01 3.94 -6.571419058e-01 -6.571419058e-01 3.96 -6.316839541e-01 -6.316839541e-01 3.98 -6.072441747e-01 -6.072441747e-01 4.00 -5.837468519e-01 -5.837468519e-01 4.02 -5.611225142e-01 -5.611225142e-01 4.04 -5.393074953e-01 -5.393074953e-01 4.06 -5.182436380e-01 -5.182436380e-01 4.08 -4.978781625e-01 -4.978781625e-01 4.10 -4.781637083e-01 -4.781637083e-01 4.12 -4.590585505e-01 -4.590585505e-01 4.14 -4.405269498e-01 -4.405269498e-01 4.16 -4.225396042e-01 -4.225396042e-01 4.18 -4.050741062e-01 -4.050741062e-01 4.20 -3.881152968e-01 -3.881152968e-01 4.22 -3.716553828e-01 -3.716553828e-01 4.24 -3.556936790e-01 -3.556936790e-01 4.26 -3.402358583e-01 -3.402358583e-01 4.28 -3.252926575e-01 -3.252926575e-01 4.30 -3.108780658e-01 -3.108780658e-01 4.32 -2.970071332e-01 -2.970071332e-01 4.34 -2.836936210e-01 -2.836936210e-01 4.36 -2.709477704e-01 -2.709477704e-01 4.38 -2.587744590e-01 -2.587744590e-01 4.40 -2.471719491e-01 -2.471719491e-01 4.42 -2.361313265e-01 -2.361313265e-01 4.44 -2.256366164e-01 -2.256366164e-01 4.46 -2.156654605e-01 -2.156654605e-01 4.48 -2.061901857e-01 -2.061901857e-01 4.50 -1.971790768e-01 -1.971790768e-01 4.52 -1.885976850e-01 -1.885976850e-01 4.54 -1.804100464e-01 -1.804100464e-01 4.56 -1.725797314e-01 -1.725797314e-01 4.58 -1.650706930e-01 -1.650706930e-01 4.60 -1.578479168e-01 -1.578479168e-01 4.62 -1.508778977e-01 -1.508778977e-01 4.64 -1.441289869e-01 -1.441289869e-01 4.66 -1.375716508e-01 -1.375716508e-01 4.68 -1.311786895e-01 -1.311786895e-01 4.70 -1.249254506e-01 -1.249254506e-01 4.72 -1.187900713e-01 -1.187900713e-01 4.74 -1.127537671e-01 -1.127537671e-01 4.76 -1.068011755e-01 -1.068011755e-01 4.78 -1.009207472e-01 -1.009207472e-01 4.80 -9.510516106e-02 -9.510516106e-02 4.82 -8.935172597e-02 -8.935172597e-02 4.84 -8.366270430e-02 -8.366270430e-02 4.86 -7.804550038e-02 -7.804550038e-02 4.88 -7.251263126e-02 -7.251263126e-02 4.90 -6.708141670e-02 -6.708141670e-02 4.92 -6.177334155e-02 -6.177334155e-02 4.94 -5.661307952e-02 -5.661307952e-02 4.96 -5.162721360e-02 -5.162721360e-02 4.98 -4.684273470e-02 -4.684273470e-02 5.00 -4.228544728e-02 -4.228544728e-02 5.02 -3.797843317e-02 -3.797843317e-02 5.04 -3.394072201e-02 -3.394072201e-02 5.06 -3.018629431e-02 -3.018629431e-02 5.08 -2.672327455e-02 -2.672327455e-02 5.10 -2.355389960e-02 -2.355389960e-02 5.12 -2.067539553e-02 -2.067539553e-02 5.14 -1.808013452e-02 -1.808013452e-02 5.16 -1.575618874e-02 -1.575618874e-02 5.18 -1.368829117e-02 -1.368829117e-02 5.20 -1.185881676e-02 -1.185881676e-02 5.22 -1.024870567e-02 -1.024870567e-02 5.24 -8.838276128e-03 -8.838276128e-03 5.26 -7.607898447e-03 -7.607898447e-03 5.28 -6.538521318e-03 -6.538521318e-03 5.30 -5.612056305e-03 -5.612056305e-03 5.32 -4.811635589e-03 -4.811635589e-03 5.34 -4.121762887e-03 -4.121762887e-03 5.36 -3.528378864e-03 -3.528378864e-03 5.38 -3.018861447e-03 -3.018861447e-03 5.40 -2.581979201e-03 -2.581979201e-03 5.42 -2.207813046e-03 -2.207813046e-03 5.44 -1.887658578e-03 -1.887658578e-03 5.46 -1.613918453e-03 -1.613918453e-03 5.48 -1.379991796e-03 -1.379991796e-03 5.50 -1.180165568e-03 -1.180165568e-03 5.52 -1.009511146e-03 -1.009511146e-03 5.54 -8.637881550e-04 -8.637881550e-04 5.56 -7.393565887e-04 -7.393565887e-04 5.58 -6.330976402e-04 -6.330976402e-04 5.60 -5.423431512e-04 -5.423431512e-04 5.62 -4.648133115e-04 -4.648133115e-04 5.64 -3.985620419e-04 -3.985620419e-04 5.66 -3.419294012e-04 -3.419294012e-04 5.68 -2.935003180e-04 -2.935003180e-04 5.70 -2.520689534e-04 -2.520689534e-04 5.72 -2.166080295e-04 -2.166080295e-04 5.74 -1.862425056e-04 -1.862425056e-04 5.76 -1.602270375e-04 -1.602270375e-04 5.78 -1.379267116e-04 -1.379267116e-04 5.80 -1.188006042e-04 -1.188006042e-04 5.82 -1.023877676e-04 -1.023877676e-04 5.84 -8.829529735e-05 -8.829529735e-05 5.86 -7.618817777e-05 -7.618817777e-05 5.88 -6.578064659e-05 -6.578064659e-05 5.90 -5.682885373e-05 -5.682885373e-05 5.92 -4.912462195e-05 -4.912462195e-05 5.94 -4.249014462e-05 -4.249014462e-05 5.96 -3.677347992e-05 -3.677347992e-05 5.98 -3.184472171e-05 -3.184472171e-05 6.00 -2.759274485e-05 -2.759274485e-05