# 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 = Cu2FeW # 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 1.885826917e+02 1.885826917e+02 1.30 1.727267847e+02 1.727267847e+02 1.32 1.581786337e+02 1.581786337e+02 1.34 1.448193776e+02 1.448193776e+02 1.36 1.325401876e+02 1.325401876e+02 1.38 1.212428035e+02 1.212428035e+02 1.40 1.108400308e+02 1.108400308e+02 1.42 1.012558873e+02 1.012558873e+02 1.44 9.242455478e+01 9.242455478e+01 1.46 8.428814047e+01 8.428814047e+01 1.48 7.679424497e+01 7.679424497e+01 1.50 6.989438766e+01 6.989438766e+01 1.52 6.354353253e+01 6.354353253e+01 1.54 5.770010562e+01 5.770010562e+01 1.56 5.232586054e+01 5.232586054e+01 1.58 4.738557587e+01 4.738557587e+01 1.60 4.284688464e+01 4.284688464e+01 1.62 3.868024374e+01 3.868024374e+01 1.64 3.485899486e+01 3.485899486e+01 1.66 3.135904708e+01 3.135904708e+01 1.68 2.815710102e+01 2.815710102e+01 1.70 2.523056090e+01 2.523056090e+01 1.72 2.255704199e+01 2.255704199e+01 1.74 2.011444242e+01 2.011444242e+01 1.76 1.788101061e+01 1.788101061e+01 1.78 1.583607062e+01 1.583607062e+01 1.80 1.396066605e+01 1.396066605e+01 1.82 1.223798589e+01 1.223798589e+01 1.84 1.065362107e+01 1.065362107e+01 1.86 9.195533098e+00 9.195533098e+00 1.88 7.853778242e+00 7.853778242e+00 1.90 6.620078103e+00 6.620078103e+00 1.92 5.487344359e+00 5.487344359e+00 1.94 4.449254442e+00 4.449254442e+00 1.96 3.499936560e+00 3.499936560e+00 1.98 2.633771563e+00 2.633771563e+00 2.00 1.845284245e+00 1.845284245e+00 2.02 1.129090757e+00 1.129090757e+00 2.04 4.798802564e-01 4.798802564e-01 2.06 -1.075793875e-01 -1.075793875e-01 2.08 -6.384156724e-01 -6.384156724e-01 2.10 -1.117606585e+00 -1.117606585e+00 2.12 -1.549918748e+00 -1.549918748e+00 2.14 -1.939835226e+00 -1.939835226e+00 2.16 -2.291485722e+00 -2.291485722e+00 2.18 -2.608462796e+00 -2.608462796e+00 2.20 -2.894169962e+00 -2.894169962e+00 2.22 -3.151741950e+00 -3.151741950e+00 2.24 -3.383876049e+00 -3.383876049e+00 2.26 -3.592915072e+00 -3.592915072e+00 2.28 -3.780902941e+00 -3.780902941e+00 2.30 -3.949254820e+00 -3.949254820e+00 2.32 -4.099100497e+00 -4.099100497e+00 2.34 -4.231674885e+00 -4.231674885e+00 2.36 -4.348226353e+00 -4.348226353e+00 2.38 -4.449924510e+00 -4.449924510e+00 2.40 -4.537798676e+00 -4.537798676e+00 2.42 -4.612717693e+00 -4.612717693e+00 2.44 -4.675406490e+00 -4.675406490e+00 2.46 -4.726483972e+00 -4.726483972e+00 2.48 -4.766505413e+00 -4.766505413e+00 2.50 -4.795997896e+00 -4.795997896e+00 2.52 -4.815484068e+00 -4.815484068e+00 2.54 -4.825494436e+00 -4.825494436e+00 2.56 -4.826570929e+00 -4.826570929e+00 2.58 -4.819265194e+00 -4.819265194e+00 2.60 -4.804134902e+00 -4.804134902e+00 2.62 -4.781740532e+00 -4.781740532e+00 2.64 -4.752644326e+00 -4.752644326e+00 2.66 -4.717413768e+00 -4.717413768e+00 2.68 -4.676610768e+00 -4.676610768e+00 2.70 -4.630920782e+00 -4.630920782e+00 2.72 -4.581278704e+00 -4.581278704e+00 2.74 -4.527794889e+00 -4.527794889e+00 2.76 -4.470563547e+00 -4.470563547e+00 2.78 -4.409750941e+00 -4.409750941e+00 2.80 -4.345502438e+00 -4.345502438e+00 2.82 -4.277820537e+00 -4.277820537e+00 2.84 -4.206732324e+00 -4.206732324e+00 2.86 -4.132321867e+00 -4.132321867e+00 2.88 -4.054762627e+00 -4.054762627e+00 2.90 -3.974267752e+00 -3.974267752e+00 2.92 -3.891071860e+00 -3.891071860e+00 2.94 -3.805432905e+00 -3.805432905e+00 2.96 -3.717633583e+00 -3.717633583e+00 2.98 -3.627980741e+00 -3.627980741e+00 3.00 -3.536801393e+00 -3.536801393e+00 3.02 -3.444434494e+00 -3.444434494e+00 3.04 -3.351218550e+00 -3.351218550e+00 3.06 -3.257476369e+00 -3.257476369e+00 3.08 -3.163499155e+00 -3.163499155e+00 3.10 -3.069532589e+00 -3.069532589e+00 3.12 -2.975767244e+00 -2.975767244e+00 3.14 -2.882334895e+00 -2.882334895e+00 3.16 -2.789311155e+00 -2.789311155e+00 3.18 -2.696723891e+00 -2.696723891e+00 3.20 -2.604566043e+00 -2.604566043e+00 3.22 -2.512811125e+00 -2.512811125e+00 3.24 -2.421429609e+00 -2.421429609e+00 3.26 -2.330404571e+00 -2.330404571e+00 3.28 -2.239745352e+00 -2.239745352e+00 3.30 -2.149498318e+00 -2.149498318e+00 3.32 -2.059754211e+00 -2.059754211e+00 3.34 -1.970651851e+00 -1.970651851e+00 3.36 -1.882378186e+00 -1.882378186e+00 3.38 -1.795164835e+00 -1.795164835e+00 3.40 -1.709281372e+00 -1.709281372e+00 3.42 -1.625025704e+00 -1.625025704e+00 3.44 -1.542712029e+00 -1.542712029e+00 3.46 -1.462657046e+00 -1.462657046e+00 3.48 -1.385165307e+00 -1.385165307e+00 3.50 -1.310514765e+00 -1.310514765e+00 3.52 -1.238943693e+00 -1.238943693e+00 3.54 -1.170640062e+00 -1.170640062e+00 3.56 -1.105734269e+00 -1.105734269e+00 3.58 -1.044295725e+00 -1.044295725e+00 3.60 -9.863334141e-01 -9.863334141e-01 3.62 -9.318000922e-01 -9.318000922e-01 3.64 -8.805994766e-01 -8.805994766e-01 3.66 -8.325955690e-01 -8.325955690e-01 3.68 -7.876231710e-01 -7.876231710e-01 3.70 -7.454986926e-01 -7.454986926e-01 3.72 -7.060304548e-01 -7.060304548e-01 3.74 -6.690278305e-01 -6.690278305e-01 3.76 -6.343087166e-01 -6.343087166e-01 3.78 -6.017049805e-01 -6.017049805e-01 3.80 -5.710656837e-01 -5.710656837e-01 3.82 -5.422580670e-01 -5.422580670e-01 3.84 -5.151664820e-01 -5.151664820e-01 3.86 -4.896896712e-01 -4.896896712e-01 3.88 -4.657369747e-01 -4.657369747e-01 3.90 -4.432241491e-01 -4.432241491e-01 3.92 -4.220694686e-01 -4.220694686e-01 3.94 -4.021906462e-01 -4.021906462e-01 3.96 -3.835028895e-01 -3.835028895e-01 3.98 -3.659181524e-01 -3.659181524e-01 4.00 -3.493454307e-01 -3.493454307e-01 4.02 -3.336918073e-01 -3.336918073e-01 4.04 -3.188639152e-01 -3.188639152e-01 4.06 -3.047695116e-01 -3.047695116e-01 4.08 -2.913189506e-01 -2.913189506e-01 4.10 -2.784264295e-01 -2.784264295e-01 4.12 -2.660107527e-01 -2.660107527e-01 4.14 -2.539963362e-01 -2.539963362e-01 4.16 -2.423143403e-01 -2.423143403e-01 4.18 -2.309024065e-01 -2.309024065e-01 4.20 -2.197052759e-01 -2.197052759e-01 4.22 -2.086754547e-01 -2.086754547e-01 4.24 -1.977739548e-01 -1.977739548e-01 4.26 -1.869711189e-01 -1.869711189e-01 4.28 -1.762474938e-01 -1.762474938e-01 4.30 -1.655946679e-01 -1.655946679e-01 4.32 -1.550159436e-01 -1.550159436e-01 4.34 -1.445266855e-01 -1.445266855e-01 4.36 -1.341541719e-01 -1.341541719e-01 4.38 -1.239367924e-01 -1.239367924e-01 4.40 -1.139224903e-01 -1.139224903e-01 4.42 -1.041664290e-01 -1.041664290e-01 4.44 -9.472797662e-02 -9.472797662e-02 4.46 -8.566721670e-02 -8.566721670e-02 4.48 -7.704129069e-02 -7.704129069e-02 4.50 -6.890092762e-02 -6.890092762e-02 4.52 -6.128750996e-02 -6.128750996e-02 4.54 -5.423095351e-02 -5.423095351e-02 4.56 -4.774856341e-02 -4.774856341e-02 4.58 -4.184489201e-02 -4.184489201e-02 4.60 -3.651249734e-02 -3.651249734e-02 4.62 -3.173340753e-02 -3.173340753e-02 4.64 -2.748104346e-02 -2.748104346e-02 4.66 -2.372235250e-02 -2.372235250e-02 4.68 -2.041994250e-02 -2.041994250e-02 4.70 -1.753403971e-02 -1.753403971e-02 4.72 -1.502361494e-02 -1.502361494e-02 4.74 -1.284892189e-02 -1.284892189e-02 4.76 -1.097230403e-02 -1.097230403e-02 4.78 -9.358214771e-03 -9.358214771e-03 4.80 -7.973774224e-03 -7.973774224e-03 4.82 -6.789061214e-03 -6.789061214e-03 4.84 -5.777205277e-03 -5.777205277e-03 4.86 -4.914336492e-03 -4.914336492e-03 4.88 -4.179439496e-03 -4.179439496e-03 4.90 -3.554148761e-03 -3.554148761e-03 4.92 -3.022512791e-03 -3.022512791e-03 4.94 -2.570747203e-03 -2.570747203e-03 4.96 -2.186990435e-03 -2.186990435e-03 4.98 -1.861071000e-03 -1.861071000e-03 5.00 -1.584291590e-03 -1.584291590e-03 5.02 -1.349232769e-03 -1.349232769e-03 5.04 -1.149577175e-03 -1.149577175e-03 5.06 -9.799539365e-04 -9.799539365e-04 5.08 -8.358022966e-04 -8.358022966e-04 5.10 -7.132529499e-04 -7.132529499e-04 5.12 -6.090254384e-04 -6.090254384e-04 5.14 -5.203398638e-04 -5.203398638e-04 5.16 -4.448412258e-04 -4.448412258e-04 5.18 -3.805347925e-04 -3.805347925e-04 5.20 -3.257310400e-04 -3.257310400e-04 5.22 -2.789988454e-04 -2.789988454e-04 5.24 -2.391257622e-04 -2.391257622e-04 5.26 -2.050843541e-04 -2.050843541e-04 5.28 -1.760036908e-04 -1.760036908e-04 5.30 -1.511452353e-04 -1.511452353e-04 5.32 -1.298824558e-04 -1.298824558e-04 5.34 -1.116835950e-04 -1.116835950e-04 5.36 -9.609711113e-05 -9.609711113e-05 5.38 -8.273937634e-05 -8.273937634e-05 5.40 -7.128428396e-05 -7.128428396e-05 5.42 -6.145446625e-05 -6.145446625e-05 5.44 -5.301387215e-05 -5.301387215e-05 5.46 -4.576149258e-05 -4.576149258e-05 5.48 -3.952605420e-05 -3.952605420e-05 5.50 -3.416153036e-05 -3.416153036e-05 5.52 -2.954334185e-05 -2.954334185e-05 5.54 -2.556513993e-05 -2.556513993e-05 5.56 -2.213608110e-05 -2.213608110e-05 5.58 -1.917851720e-05 -1.917851720e-05 5.60 -1.662603646e-05 -1.662603646e-05 5.62 -1.442180139e-05 -1.442180139e-05 5.64 -1.251713755e-05 -1.251713755e-05 5.66 -1.087033471e-05 -1.087033471e-05 5.68 -9.445627816e-06 -9.445627816e-06 5.70 -8.212330290e-06 -8.212330290e-06 5.72 -7.144096375e-06 -7.144096375e-06 5.74 -6.218292994e-06 -6.218292994e-06 5.76 -5.415464491e-06 -5.415464491e-06 5.78 -4.718876243e-06 -4.718876243e-06 5.80 -4.114125290e-06 -4.114125290e-06 5.82 -3.588807921e-06 -3.588807921e-06 5.84 -3.132235715e-06 -3.132235715e-06 5.86 -2.735192820e-06 -2.735192820e-06 5.88 -2.389728347e-06 -2.389728347e-06 5.90 -2.088978700e-06 -2.088978700e-06 5.92 -1.827015424e-06 -1.827015424e-06 5.94 -1.598714822e-06 -1.598714822e-06 5.96 -1.399646169e-06 -1.399646169e-06 5.98 -1.225975802e-06 -1.225975802e-06 6.00 -1.074384791e-06 -1.074384791e-06