# 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 = MgPt2W # 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 4.741663204e+02 4.741663204e+02 1.30 4.416598030e+02 4.416598030e+02 1.32 4.113711514e+02 4.113711514e+02 1.34 3.831322005e+02 3.831322005e+02 1.36 3.568019545e+02 3.568019545e+02 1.38 3.322592251e+02 3.322592251e+02 1.40 3.093942885e+02 3.093942885e+02 1.42 2.881016523e+02 2.881016523e+02 1.44 2.682740653e+02 2.682740653e+02 1.46 2.498011240e+02 2.498011240e+02 1.48 2.325740971e+02 2.325740971e+02 1.50 2.164920481e+02 2.164920481e+02 1.52 2.014640179e+02 2.014640179e+02 1.54 1.874074593e+02 1.874074593e+02 1.56 1.742460412e+02 1.742460412e+02 1.58 1.619083990e+02 1.619083990e+02 1.60 1.503275777e+02 1.503275777e+02 1.62 1.394408362e+02 1.394408362e+02 1.64 1.291901281e+02 1.291901281e+02 1.66 1.195233900e+02 1.195233900e+02 1.68 1.103960786e+02 1.103960786e+02 1.70 1.017720126e+02 1.017720126e+02 1.72 9.362287630e+01 9.362287630e+01 1.74 8.592632301e+01 8.592632301e+01 1.76 7.866345311e+01 7.866345311e+01 1.78 7.181714920e+01 7.181714920e+01 1.80 6.537050782e+01 6.537050782e+01 1.82 5.930736226e+01 5.930736226e+01 1.84 5.366328206e+01 5.366328206e+01 1.86 4.850570326e+01 4.850570326e+01 1.88 4.380210632e+01 4.380210632e+01 1.90 3.951786412e+01 3.951786412e+01 1.92 3.561776966e+01 3.561776966e+01 1.94 3.206621425e+01 3.206621425e+01 1.96 2.882829008e+01 2.882829008e+01 1.98 2.587129796e+01 2.587129796e+01 2.00 2.316594747e+01 2.316594747e+01 2.02 2.068683410e+01 2.068683410e+01 2.04 1.841224527e+01 1.841224527e+01 2.06 1.632359451e+01 1.632359451e+01 2.08 1.440476608e+01 1.440476608e+01 2.10 1.264153085e+01 1.264153085e+01 2.12 1.102108883e+01 1.102108883e+01 2.14 9.531760624e+00 9.531760624e+00 2.16 8.162821618e+00 8.162821618e+00 2.18 6.904450387e+00 6.904450387e+00 2.20 5.747737118e+00 5.747737118e+00 2.22 4.684690663e+00 4.684690663e+00 2.24 3.708210250e+00 3.708210250e+00 2.26 2.812015742e+00 2.812015742e+00 2.28 1.990548805e+00 1.990548805e+00 2.30 1.238864429e+00 1.238864429e+00 2.32 5.525214750e-01 5.525214750e-01 2.34 -7.251941050e-02 -7.251941050e-02 2.36 -6.399881023e-01 -6.399881023e-01 2.38 -1.153389243e+00 -1.153389243e+00 2.40 -1.616078496e+00 -1.616078496e+00 2.42 -2.031267129e+00 -2.031267129e+00 2.44 -2.402216759e+00 -2.402216759e+00 2.46 -2.732275728e+00 -2.732275728e+00 2.48 -3.024824837e+00 -3.024824837e+00 2.50 -3.283271539e+00 -3.283271539e+00 2.52 -3.511010311e+00 -3.511010311e+00 2.54 -3.711346997e+00 -3.711346997e+00 2.56 -3.887394301e+00 -3.887394301e+00 2.58 -4.041904293e+00 -4.041904293e+00 2.60 -4.177075570e+00 -4.177075570e+00 2.62 -4.296530328e+00 -4.296530328e+00 2.64 -4.402239748e+00 -4.402239748e+00 2.66 -4.494724005e+00 -4.494724005e+00 2.68 -4.574393952e+00 -4.574393952e+00 2.70 -4.641599071e+00 -4.641599071e+00 2.72 -4.696667421e+00 -4.696667421e+00 2.74 -4.739931754e+00 -4.739931754e+00 2.76 -4.771742327e+00 -4.771742327e+00 2.78 -4.792470174e+00 -4.792470174e+00 2.80 -4.802506389e+00 -4.802506389e+00 2.82 -4.802259872e+00 -4.802259872e+00 2.84 -4.792159481e+00 -4.792159481e+00 2.86 -4.772660256e+00 -4.772660256e+00 2.88 -4.744254804e+00 -4.744254804e+00 2.90 -4.707487935e+00 -4.707487935e+00 2.92 -4.662970800e+00 -4.662970800e+00 2.94 -4.611389179e+00 -4.611389179e+00 2.96 -4.553500217e+00 -4.553500217e+00 2.98 -4.490113654e+00 -4.490113654e+00 3.00 -4.422057619e+00 -4.422057619e+00 3.02 -4.350134083e+00 -4.350134083e+00 3.04 -4.275072816e+00 -4.275072816e+00 3.06 -4.197495101e+00 -4.197495101e+00 3.08 -4.117890768e+00 -4.117890768e+00 3.10 -4.036615737e+00 -4.036615737e+00 3.12 -3.953903384e+00 -3.953903384e+00 3.14 -3.869887319e+00 -3.869887319e+00 3.16 -3.784626099e+00 -3.784626099e+00 3.18 -3.698130019e+00 -3.698130019e+00 3.20 -3.610383696e+00 -3.610383696e+00 3.22 -3.521365063e+00 -3.521365063e+00 3.24 -3.431060712e+00 -3.431060712e+00 3.26 -3.339478213e+00 -3.339478213e+00 3.28 -3.246656009e+00 -3.246656009e+00 3.30 -3.152671266e+00 -3.152671266e+00 3.32 -3.057645733e+00 -3.057645733e+00 3.34 -2.961749540e+00 -2.961749540e+00 3.36 -2.865202720e+00 -2.865202720e+00 3.38 -2.768366916e+00 -2.768366916e+00 3.40 -2.671934535e+00 -2.671934535e+00 3.42 -2.576640705e+00 -2.576640705e+00 3.44 -2.483154630e+00 -2.483154630e+00 3.46 -2.392066109e+00 -2.392066109e+00 3.48 -2.303882532e+00 -2.303882532e+00 3.50 -2.219016107e+00 -2.219016107e+00 3.52 -2.137775822e+00 -2.137775822e+00 3.54 -2.060365150e+00 -2.060365150e+00 3.56 -1.986885670e+00 -1.986885670e+00 3.58 -1.917345962e+00 -1.917345962e+00 3.60 -1.851674508e+00 -1.851674508e+00 3.62 -1.789733876e+00 -1.789733876e+00 3.64 -1.731328253e+00 -1.731328253e+00 3.66 -1.676224552e+00 -1.676224552e+00 3.68 -1.624173176e+00 -1.624173176e+00 3.70 -1.574919353e+00 -1.574919353e+00 3.72 -1.528212097e+00 -1.528212097e+00 3.74 -1.483810818e+00 -1.483810818e+00 3.76 -1.441489826e+00 -1.441489826e+00 3.78 -1.401041061e+00 -1.401041061e+00 3.80 -1.362275407e+00 -1.362275407e+00 3.82 -1.325022929e+00 -1.325022929e+00 3.84 -1.289132352e+00 -1.289132352e+00 3.86 -1.254470010e+00 -1.254470010e+00 3.88 -1.220918499e+00 -1.220918499e+00 3.90 -1.188375184e+00 -1.188375184e+00 3.92 -1.156750609e+00 -1.156750609e+00 3.94 -1.125967667e+00 -1.125967667e+00 3.96 -1.095959652e+00 -1.095959652e+00 3.98 -1.066669975e+00 -1.066669975e+00 4.00 -1.038051409e+00 -1.038051409e+00 4.02 -1.010065712e+00 -1.010065712e+00 4.04 -9.826834020e-01 -9.826834020e-01 4.06 -9.558835578e-01 -9.558835578e-01 4.08 -9.296535271e-01 -9.296535271e-01 4.10 -9.039882638e-01 -9.039882638e-01 4.12 -8.788899868e-01 -8.788899868e-01 4.14 -8.543659840e-01 -8.543659840e-01 4.16 -8.304274579e-01 -8.304274579e-01 4.18 -8.070872073e-01 -8.070872073e-01 4.20 -7.843572555e-01 -7.843572555e-01 4.22 -7.622464820e-01 -7.622464820e-01 4.24 -7.407585117e-01 -7.407585117e-01 4.26 -7.198900837e-01 -7.198900837e-01 4.28 -6.996300577e-01 -6.996300577e-01 4.30 -6.799591047e-01 -6.799591047e-01 4.32 -6.608500287e-01 -6.608500287e-01 4.34 -6.422685798e-01 -6.422685798e-01 4.36 -6.241745772e-01 -6.241745772e-01 4.38 -6.065231595e-01 -6.065231595e-01 4.40 -5.892660081e-01 -5.892660081e-01 4.42 -5.723524429e-01 -5.723524429e-01 4.44 -5.557303387e-01 -5.557303387e-01 4.46 -5.393468613e-01 -5.393468613e-01 4.48 -5.231490561e-01 -5.231490561e-01 4.50 -5.070843439e-01 -5.070843439e-01 4.52 -4.911009932e-01 -4.911009932e-01 4.54 -4.751486378e-01 -4.751486378e-01 4.56 -4.591789088e-01 -4.591789088e-01 4.58 -4.431462382e-01 -4.431462382e-01 4.60 -4.270088816e-01 -4.270088816e-01 4.62 -4.107301853e-01 -4.107301853e-01 4.64 -3.942801012e-01 -3.942801012e-01 4.66 -3.776369203e-01 -3.776369203e-01 4.68 -3.607891548e-01 -3.607891548e-01 4.70 -3.437374589e-01 -3.437374589e-01 4.72 -3.264964282e-01 -3.264964282e-01 4.74 -3.090960809e-01 -3.090960809e-01 4.76 -2.915827965e-01 -2.915827965e-01 4.78 -2.740194844e-01 -2.740194844e-01 4.80 -2.564846122e-01 -2.564846122e-01 4.82 -2.390710556e-01 -2.390710556e-01 4.84 -2.218819528e-01 -2.218819528e-01 4.86 -2.050275239e-01 -2.050275239e-01 4.88 -1.886201303e-01 -1.886201303e-01 4.90 -1.727691731e-01 -1.727691731e-01 4.92 -1.575760598e-01 -1.575760598e-01 4.94 -1.431296856e-01 -1.431296856e-01 4.96 -1.295028197e-01 -1.295028197e-01 4.98 -1.167496703e-01 -1.167496703e-01 5.00 -1.049047505e-01 -1.049047505e-01 5.02 -9.398301215e-02 -9.398301215e-02 5.04 -8.398108985e-02 -8.398108985e-02 5.06 -7.487939919e-02 -7.487939919e-02 5.08 -6.664479610e-02 -6.664479610e-02 5.10 -5.923350423e-02 -5.923350423e-02 5.12 -5.259405517e-02 -5.259405517e-02 5.14 -4.667004325e-02 -4.667004325e-02 5.16 -4.140256253e-02 -4.140256253e-02 5.18 -3.673225281e-02 -3.673225281e-02 5.20 -3.260090340e-02 -3.260090340e-02 5.22 -2.895269833e-02 -2.895269833e-02 5.24 -2.573507839e-02 -2.573507839e-02 5.26 -2.289904467e-02 -2.289904467e-02 5.28 -2.039917328e-02 -2.039917328e-02 5.30 -1.819570848e-02 -1.819570848e-02 5.32 -1.625274206e-02 -1.625274206e-02 5.34 -1.453806514e-02 -1.453806514e-02 5.36 -1.302336877e-02 -1.302336877e-02 5.38 -1.168366166e-02 -1.168366166e-02 5.40 -1.049700472e-02 -1.049700472e-02 5.42 -9.444304752e-03 -9.444304752e-03 5.44 -8.509020289e-03 -8.509020289e-03 5.46 -7.676865696e-03 -7.676865696e-03 5.48 -6.935523663e-03 -6.935523663e-03 5.50 -6.274373384e-03 -6.274373384e-03 5.52 -5.684239812e-03 -5.684239812e-03 5.54 -5.157167851e-03 -5.157167851e-03 5.56 -4.686223994e-03 -4.686223994e-03 5.58 -4.265326494e-03 -4.265326494e-03 5.60 -3.889103756e-03 -3.889103756e-03 5.62 -3.552779303e-03 -3.552779303e-03 5.64 -3.252080533e-03 -3.252080533e-03 5.66 -2.983167765e-03 -2.983167765e-03 5.68 -2.742579695e-03 -2.742579695e-03 5.70 -2.527191461e-03 -2.527191461e-03 5.72 -2.334181846e-03 -2.334181846e-03 5.74 -2.161006766e-03 -2.161006766e-03 5.76 -2.005376802e-03 -2.005376802e-03 5.78 -1.865237208e-03 -1.865237208e-03 5.80 -1.738749385e-03 -1.738749385e-03 5.82 -1.624273240e-03 -1.624273240e-03 5.84 -1.520350193e-03 -1.520350193e-03 5.86 -1.425686785e-03 -1.425686785e-03 5.88 -1.339138973e-03 -1.339138973e-03 5.90 -1.259697240e-03 -1.259697240e-03 5.92 -1.186472645e-03 -1.186472645e-03 5.94 -1.118683942e-03 -1.118683942e-03 5.96 -1.055645842e-03 -1.055645842e-03 5.98 -9.967584463e-04 -9.967584463e-04 6.00 -9.414978837e-04 -9.414978837e-04