# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = CuNiPt2 # 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 2022-05-24 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 8.081054138e+02 8.081054138e+02 0.98 7.348693371e+02 7.348693371e+02 1.00 6.684673187e+02 6.684673187e+02 1.02 6.082396687e+02 6.082396687e+02 1.04 5.536003170e+02 5.536003170e+02 1.06 5.040201123e+02 5.040201123e+02 1.08 4.590239527e+02 4.590239527e+02 1.10 4.181874462e+02 4.181874462e+02 1.12 3.811189747e+02 3.811189747e+02 1.14 3.474653973e+02 3.474653973e+02 1.16 3.169069921e+02 3.169069921e+02 1.18 2.891568072e+02 2.891568072e+02 1.20 2.639507308e+02 2.639507308e+02 1.22 2.410488681e+02 2.410488681e+02 1.24 2.202390824e+02 2.202390824e+02 1.26 2.013231873e+02 2.013231873e+02 1.28 1.841227707e+02 1.841227707e+02 1.30 1.684731989e+02 1.684731989e+02 1.32 1.542284293e+02 1.542284293e+02 1.34 1.412564373e+02 1.412564373e+02 1.36 1.294367048e+02 1.294367048e+02 1.38 1.186588460e+02 1.186588460e+02 1.40 1.088240977e+02 1.088240977e+02 1.42 9.984240722e+01 9.984240722e+01 1.44 9.163281501e+01 9.163281501e+01 1.46 8.412277372e+01 8.412277372e+01 1.48 7.724654650e+01 7.724654650e+01 1.50 7.094411576e+01 7.094411576e+01 1.52 6.516184963e+01 6.516184963e+01 1.54 5.985096622e+01 5.985096622e+01 1.56 5.496717775e+01 5.496717775e+01 1.58 5.047092306e+01 5.047092306e+01 1.60 4.632828252e+01 4.632828252e+01 1.62 4.250757751e+01 4.250757751e+01 1.64 3.897955391e+01 3.897955391e+01 1.66 3.571838834e+01 3.571838834e+01 1.68 3.270061825e+01 3.270061825e+01 1.70 2.990483447e+01 2.990483447e+01 1.72 2.731136626e+01 2.731136626e+01 1.74 2.490415656e+01 2.490415656e+01 1.76 2.266715993e+01 2.266715993e+01 1.78 2.058555913e+01 2.058555913e+01 1.80 1.865238172e+01 1.865238172e+01 1.82 1.685709129e+01 1.685709129e+01 1.84 1.519368306e+01 1.519368306e+01 1.86 1.365238443e+01 1.365238443e+01 1.88 1.221743365e+01 1.221743365e+01 1.90 1.086023275e+01 1.086023275e+01 1.92 9.605553028e+00 9.605553028e+00 1.94 8.420017307e+00 8.420017307e+00 1.96 7.302166037e+00 7.302166037e+00 1.98 6.249586020e+00 6.249586020e+00 2.00 5.259894122e+00 5.259894122e+00 2.02 4.330883069e+00 4.330883069e+00 2.04 3.460448068e+00 3.460448068e+00 2.06 2.646461694e+00 2.646461694e+00 2.08 1.886763867e+00 1.886763867e+00 2.10 1.179261899e+00 1.179261899e+00 2.12 5.216254011e-01 5.216254011e-01 2.14 -8.769643726e-02 -8.769643726e-02 2.16 -6.502386706e-01 -6.502386706e-01 2.18 -1.168557971e+00 -1.168557971e+00 2.20 -1.644635176e+00 -1.644635176e+00 2.22 -2.080460927e+00 -2.080460927e+00 2.24 -2.477993668e+00 -2.477993668e+00 2.26 -2.838756092e+00 -2.838756092e+00 2.28 -3.164604763e+00 -3.164604763e+00 2.30 -3.457533376e+00 -3.457533376e+00 2.32 -3.719859519e+00 -3.719859519e+00 2.34 -3.953241412e+00 -3.953241412e+00 2.36 -4.159386933e+00 -4.159386933e+00 2.38 -4.339921855e+00 -4.339921855e+00 2.40 -4.496268848e+00 -4.496268848e+00 2.42 -4.630351492e+00 -4.630351492e+00 2.44 -4.743517953e+00 -4.743517953e+00 2.46 -4.837198643e+00 -4.837198643e+00 2.48 -4.912826771e+00 -4.912826771e+00 2.50 -4.971582748e+00 -4.971582748e+00 2.52 -5.015078044e+00 -5.015078044e+00 2.54 -5.044084495e+00 -5.044084495e+00 2.56 -5.059932220e+00 -5.059932220e+00 2.58 -5.063680211e+00 -5.063680211e+00 2.60 -5.057315401e+00 -5.057315401e+00 2.62 -5.041154998e+00 -5.041154998e+00 2.64 -5.015827569e+00 -5.015827569e+00 2.66 -4.982390913e+00 -4.982390913e+00 2.68 -4.941643855e+00 -4.941643855e+00 2.70 -4.894139716e+00 -4.894139716e+00 2.72 -4.840586933e+00 -4.840586933e+00 2.74 -4.781647627e+00 -4.781647627e+00 2.76 -4.717941210e+00 -4.717941210e+00 2.78 -4.650412762e+00 -4.650412762e+00 2.80 -4.579022516e+00 -4.579022516e+00 2.82 -4.504375227e+00 -4.504375227e+00 2.84 -4.426857200e+00 -4.426857200e+00 2.86 -4.346395689e+00 -4.346395689e+00 2.88 -4.264084493e+00 -4.264084493e+00 2.90 -4.179724285e+00 -4.179724285e+00 2.92 -4.093151649e+00 -4.093151649e+00 2.94 -4.005788273e+00 -4.005788273e+00 2.96 -3.918151235e+00 -3.918151235e+00 2.98 -3.830204302e+00 -3.830204302e+00 3.00 -3.742162555e+00 -3.742162555e+00 3.02 -3.654226995e+00 -3.654226995e+00 3.04 -3.566753173e+00 -3.566753173e+00 3.06 -3.479956441e+00 -3.479956441e+00 3.08 -3.393727208e+00 -3.393727208e+00 3.10 -3.308198275e+00 -3.308198275e+00 3.12 -3.223484860e+00 -3.223484860e+00 3.14 -3.139688960e+00 -3.139688960e+00 3.16 -3.056900447e+00 -3.056900447e+00 3.18 -2.975198070e+00 -2.975198070e+00 3.20 -2.894650387e+00 -2.894650387e+00 3.22 -2.815316639e+00 -2.815316639e+00 3.24 -2.737242036e+00 -2.737242036e+00 3.26 -2.661133547e+00 -2.661133547e+00 3.28 -2.586568256e+00 -2.586568256e+00 3.30 -2.513326607e+00 -2.513326607e+00 3.32 -2.441435516e+00 -2.441435516e+00 3.34 -2.370916565e+00 -2.370916565e+00 3.36 -2.301785728e+00 -2.301785728e+00 3.38 -2.234054009e+00 -2.234054009e+00 3.40 -2.167733018e+00 -2.167733018e+00 3.42 -2.102827848e+00 -2.102827848e+00 3.44 -2.039318848e+00 -2.039318848e+00 3.46 -1.977192856e+00 -1.977192856e+00 3.48 -1.916390117e+00 -1.916390117e+00 3.50 -1.856789027e+00 -1.856789027e+00 3.52 -1.798330541e+00 -1.798330541e+00 3.54 -1.741055769e+00 -1.741055769e+00 3.56 -1.685019092e+00 -1.685019092e+00 3.58 -1.630300029e+00 -1.630300029e+00 3.60 -1.576966075e+00 -1.576966075e+00 3.62 -1.525006804e+00 -1.525006804e+00 3.64 -1.474383974e+00 -1.474383974e+00 3.66 -1.425067303e+00 -1.425067303e+00 3.68 -1.377028445e+00 -1.377028445e+00 3.70 -1.330246577e+00 -1.330246577e+00 3.72 -1.284703316e+00 -1.284703316e+00 3.74 -1.240379744e+00 -1.240379744e+00 3.76 -1.197244603e+00 -1.197244603e+00 3.78 -1.155266124e+00 -1.155266124e+00 3.80 -1.114426070e+00 -1.114426070e+00 3.82 -1.074710375e+00 -1.074710375e+00 3.84 -1.036111009e+00 -1.036111009e+00 3.86 -9.985489233e-01 -9.985489233e-01 3.88 -9.619420815e-01 -9.619420815e-01 3.90 -9.263292259e-01 -9.263292259e-01 3.92 -8.917507198e-01 -8.917507198e-01 3.94 -8.582350871e-01 -8.582350871e-01 3.96 -8.257921106e-01 -8.257921106e-01 3.98 -7.943714412e-01 -7.943714412e-01 4.00 -7.639933009e-01 -7.639933009e-01 4.02 -7.346742761e-01 -7.346742761e-01 4.04 -7.062854668e-01 -7.062854668e-01 4.06 -6.787306251e-01 -6.787306251e-01 4.08 -6.519396391e-01 -6.519396391e-01 4.10 -6.258652917e-01 -6.258652917e-01 4.12 -6.005268805e-01 -6.005268805e-01 4.14 -5.759200646e-01 -5.759200646e-01 4.16 -5.519020478e-01 -5.519020478e-01 4.18 -5.285314055e-01 -5.285314055e-01 4.20 -5.054490534e-01 -5.054490534e-01 4.22 -4.825521359e-01 -4.825521359e-01 4.24 -4.598006611e-01 -4.598006611e-01 4.26 -4.372603223e-01 -4.372603223e-01 4.28 -4.149624200e-01 -4.149624200e-01 4.30 -3.935457160e-01 -3.935457160e-01 4.32 -3.727788679e-01 -3.727788679e-01 4.34 -3.524580769e-01 -3.524580769e-01 4.36 -3.325760998e-01 -3.325760998e-01 4.38 -3.131700148e-01 -3.131700148e-01 4.40 -2.943209133e-01 -2.943209133e-01 4.42 -2.760883634e-01 -2.760883634e-01 4.44 -2.585141592e-01 -2.585141592e-01 4.46 -2.416254952e-01 -2.416254952e-01 4.48 -2.254376463e-01 -2.254376463e-01 4.50 -2.099562297e-01 -2.099562297e-01 4.52 -1.951791051e-01 -1.951791051e-01 4.54 -1.810979691e-01 -1.810979691e-01 4.56 -1.676996886e-01 -1.676996886e-01 4.58 -1.549694324e-01 -1.549694324e-01 4.60 -1.433073891e-01 -1.433073891e-01 4.62 -1.326479873e-01 -1.326479873e-01 4.64 -1.225339655e-01 -1.225339655e-01 4.66 -1.129447580e-01 -1.129447580e-01 4.68 -1.038592304e-01 -1.038592304e-01 4.70 -9.525598892e-02 -9.525598892e-02 4.72 -8.711363099e-02 -8.711363099e-02 4.74 -7.941094509e-02 -7.941094509e-02 4.76 -7.212706777e-02 -7.212706777e-02 4.78 -6.524652674e-02 -6.524652674e-02 4.80 -5.877529998e-02 -5.877529998e-02 4.82 -5.344479750e-02 -5.344479750e-02 4.84 -4.843936408e-02 -4.843936408e-02 4.86 -4.371090099e-02 -4.371090099e-02 4.88 -3.924285773e-02 -3.924285773e-02 4.90 -3.502165452e-02 -3.502165452e-02 4.92 -3.103390444e-02 -3.103390444e-02 4.94 -2.723158686e-02 -2.723158686e-02 4.96 -2.427396078e-02 -2.427396078e-02 4.98 -2.207737498e-02 -2.207737498e-02 5.00 -1.998345536e-02 -1.998345536e-02 5.02 -1.801196677e-02 -1.801196677e-02 5.04 -1.615616483e-02 -1.615616483e-02 5.06 -1.440948054e-02 -1.440948054e-02 5.08 -1.276569065e-02 -1.276569065e-02 5.10 -1.121890418e-02 -1.121890418e-02 5.12 -9.763548487e-03 -9.763548487e-03 5.14 -8.394355314e-03 -8.394355314e-03 5.16 -7.106346695e-03 -7.106346695e-03 5.18 -5.894821115e-03 -5.894821115e-03 5.20 -4.755339864e-03 -4.755339864e-03 5.22 -3.683713735e-03 -3.683713735e-03 5.24 -2.675990136e-03 -2.675990136e-03 5.26 -1.728440653e-03 -1.728440653e-03 5.28 -8.380896125e-04 -8.380896125e-04 5.30 -1.307475646e-15 -1.307123147e-15 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00