# 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 = MgMo2W # 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 4.242836137e+02 4.242836137e+02 1.30 3.925002410e+02 3.925002410e+02 1.32 3.631653951e+02 3.631653951e+02 1.34 3.360685406e+02 3.360685406e+02 1.36 3.110116992e+02 3.110116992e+02 1.38 2.878116469e+02 2.878116469e+02 1.40 2.663033230e+02 2.663033230e+02 1.42 2.463419727e+02 2.463419727e+02 1.44 2.278026076e+02 2.278026076e+02 1.46 2.105771632e+02 2.105771632e+02 1.48 1.945708362e+02 1.945708362e+02 1.50 1.796989668e+02 1.796989668e+02 1.52 1.658850006e+02 1.658850006e+02 1.54 1.530592915e+02 1.530592915e+02 1.56 1.411582327e+02 1.411582327e+02 1.58 1.301233170e+02 1.301233170e+02 1.60 1.199000188e+02 1.199000188e+02 1.62 1.104366373e+02 1.104366373e+02 1.64 1.016833382e+02 1.016833382e+02 1.66 9.359156010e+01 9.359156010e+01 1.68 8.611382070e+01 8.611382070e+01 1.70 7.920383082e+01 7.920383082e+01 1.72 7.281676689e+01 7.281676689e+01 1.74 6.690959842e+01 6.690959842e+01 1.76 6.144143759e+01 6.144143759e+01 1.78 5.637393284e+01 5.637393284e+01 1.80 5.167178285e+01 5.167178285e+01 1.82 4.730375929e+01 4.730375929e+01 1.84 4.324371730e+01 4.324371730e+01 1.86 3.947148080e+01 3.947148080e+01 1.88 3.596599918e+01 3.596599918e+01 1.90 3.270938664e+01 3.270938664e+01 1.92 2.968620593e+01 2.968620593e+01 1.94 2.688264388e+01 2.688264388e+01 1.96 2.428586357e+01 2.428586357e+01 1.98 2.188356250e+01 2.188356250e+01 2.00 1.966371958e+01 1.966371958e+01 2.02 1.761447333e+01 1.761447333e+01 2.04 1.572407895e+01 1.572407895e+01 2.06 1.398091616e+01 1.398091616e+01 2.08 1.237354435e+01 1.237354435e+01 2.10 1.089081324e+01 1.089081324e+01 2.12 9.522027722e+00 9.522027722e+00 2.14 8.257145504e+00 8.257145504e+00 2.16 7.086967234e+00 7.086967234e+00 2.18 6.003271176e+00 6.003271176e+00 2.20 4.998862140e+00 4.998862140e+00 2.22 4.067527350e+00 4.067527350e+00 2.24 3.203921752e+00 3.203921752e+00 2.26 2.403415699e+00 2.403415699e+00 2.28 1.661936639e+00 1.661936639e+00 2.30 9.758304096e-01 9.758304096e-01 2.32 3.417481378e-01 3.417481378e-01 2.34 -2.434325245e-01 -2.434325245e-01 2.36 -7.826607838e-01 -7.826607838e-01 2.38 -1.278742482e+00 -1.278742482e+00 2.40 -1.734354092e+00 -1.734354092e+00 2.42 -2.152046643e+00 -2.152046643e+00 2.44 -2.534207382e+00 -2.534207382e+00 2.46 -2.883087225e+00 -2.883087225e+00 2.48 -3.200899538e+00 -3.200899538e+00 2.50 -3.489701970e+00 -3.489701970e+00 2.52 -3.751391060e+00 -3.751391060e+00 2.54 -3.987703683e+00 -3.987703683e+00 2.56 -4.200222628e+00 -4.200222628e+00 2.58 -4.390386655e+00 -4.390386655e+00 2.60 -4.559504707e+00 -4.559504707e+00 2.62 -4.708661075e+00 -4.708661075e+00 2.64 -4.838534235e+00 -4.838534235e+00 2.66 -4.950173561e+00 -4.950173561e+00 2.68 -5.044640891e+00 -5.044640891e+00 2.70 -5.122961607e+00 -5.122961607e+00 2.72 -5.186135135e+00 -5.186135135e+00 2.74 -5.235141201e+00 -5.235141201e+00 2.76 -5.270942366e+00 -5.270942366e+00 2.78 -5.294434407e+00 -5.294434407e+00 2.80 -5.306071134e+00 -5.306071134e+00 2.82 -5.306127316e+00 -5.306127316e+00 2.84 -5.294935841e+00 -5.294935841e+00 2.86 -5.272884594e+00 -5.272884594e+00 2.88 -5.240415554e+00 -5.240415554e+00 2.90 -5.198026443e+00 -5.198026443e+00 2.92 -5.146272383e+00 -5.146272383e+00 2.94 -5.085764750e+00 -5.085764750e+00 2.96 -5.017164750e+00 -5.017164750e+00 2.98 -4.941170195e+00 -4.941170195e+00 3.00 -4.858495409e+00 -4.858495409e+00 3.02 -4.769845880e+00 -4.769845880e+00 3.04 -4.675890454e+00 -4.675890454e+00 3.06 -4.577236213e+00 -4.577236213e+00 3.08 -4.474406199e+00 -4.474406199e+00 3.10 -4.367827598e+00 -4.367827598e+00 3.12 -4.257827590e+00 -4.257827590e+00 3.14 -4.144639649e+00 -4.144639649e+00 3.16 -4.028415041e+00 -4.028415041e+00 3.18 -3.909242586e+00 -3.909242586e+00 3.20 -3.787170722e+00 -3.787170722e+00 3.22 -3.662231818e+00 -3.662231818e+00 3.24 -3.534467094e+00 -3.534467094e+00 3.26 -3.403951102e+00 -3.403951102e+00 3.28 -3.270838082e+00 -3.270838082e+00 3.30 -3.135336550e+00 -3.135336550e+00 3.32 -2.997653899e+00 -2.997653899e+00 3.34 -2.858121730e+00 -2.858121730e+00 3.36 -2.717196236e+00 -2.717196236e+00 3.38 -2.575286591e+00 -2.575286591e+00 3.40 -2.432799394e+00 -2.432799394e+00 3.42 -2.290318293e+00 -2.290318293e+00 3.44 -2.148587651e+00 -2.148587651e+00 3.46 -2.008478387e+00 -2.008478387e+00 3.48 -1.870943487e+00 -1.870943487e+00 3.50 -1.736966117e+00 -1.736966117e+00 3.52 -1.607504689e+00 -1.607504689e+00 3.54 -1.483440193e+00 -1.483440193e+00 3.56 -1.365530970e+00 -1.365530970e+00 3.58 -1.254379022e+00 -1.254379022e+00 3.60 -1.150410199e+00 -1.150410199e+00 3.62 -1.053868598e+00 -1.053868598e+00 3.64 -9.648237805e-01 -9.648237805e-01 3.66 -8.831881154e-01 -8.831881154e-01 3.68 -8.087409604e-01 -8.087409604e-01 3.70 -7.411563621e-01 -7.411563621e-01 3.72 -6.800313656e-01 -6.800313656e-01 3.74 -6.249126999e-01 -6.249126999e-01 3.76 -5.753203430e-01 -5.753203430e-01 3.78 -5.307671583e-01 -5.307671583e-01 3.80 -4.907743471e-01 -4.907743471e-01 3.82 -4.548828632e-01 -4.548828632e-01 3.84 -4.226611936e-01 -4.226611936e-01 3.86 -3.937100459e-01 -3.937100459e-01 3.88 -3.676645445e-01 -3.676645445e-01 3.90 -3.441945323e-01 -3.441945323e-01 3.92 -3.230033937e-01 -3.230033937e-01 3.94 -3.038267642e-01 -3.038267642e-01 3.96 -2.864292281e-01 -2.864292281e-01 3.98 -2.706024655e-01 -2.706024655e-01 4.00 -2.561625405e-01 -2.561625405e-01 4.02 -2.429474692e-01 -2.429474692e-01 4.04 -2.308149800e-01 -2.308149800e-01 4.06 -2.196403642e-01 -2.196403642e-01 4.08 -2.093136118e-01 -2.093136118e-01 4.10 -1.997396735e-01 -1.997396735e-01 4.12 -1.908371436e-01 -1.908371436e-01 4.14 -1.825336267e-01 -1.825336267e-01 4.16 -1.747663691e-01 -1.747663691e-01 4.18 -1.674806749e-01 -1.674806749e-01 4.20 -1.606288834e-01 -1.606288834e-01 4.22 -1.541694450e-01 -1.541694450e-01 4.24 -1.480660988e-01 -1.480660988e-01 4.26 -1.422871486e-01 -1.422871486e-01 4.28 -1.368048324e-01 -1.368048324e-01 4.30 -1.315947753e-01 -1.315947753e-01 4.32 -1.266355179e-01 -1.266355179e-01 4.34 -1.219081108e-01 -1.219081108e-01 4.36 -1.173957672e-01 -1.173957672e-01 4.38 -1.130835647e-01 -1.130835647e-01 4.40 -1.089581914e-01 -1.089581914e-01 4.42 -1.050077272e-01 -1.050077272e-01 4.44 -1.012214586e-01 -1.012214586e-01 4.46 -9.758971893e-02 -9.758971893e-02 4.48 -9.410375250e-02 -9.410375250e-02 4.50 -9.075559780e-02 -9.075559780e-02 4.52 -8.753798772e-02 -8.753798772e-02 4.54 -8.444426372e-02 -8.444426372e-02 4.56 -8.146830225e-02 -8.146830225e-02 4.58 -7.860445140e-02 -7.860445140e-02 4.60 -7.584747635e-02 -7.584747635e-02 4.62 -7.319251220e-02 -7.319251220e-02 4.64 -7.063502323e-02 -7.063502323e-02 4.66 -6.817076759e-02 -6.817076759e-02 4.68 -6.579576657e-02 -6.579576657e-02 4.70 -6.350627782e-02 -6.350627782e-02 4.72 -6.129877156e-02 -6.129877156e-02 4.74 -5.916991110e-02 -5.916991110e-02 4.76 -5.711653451e-02 -5.711653451e-02 4.78 -5.513563848e-02 -5.513563848e-02 4.80 -5.322415848e-02 -5.322415848e-02 4.82 -5.137981586e-02 -5.137981586e-02 4.84 -4.959975038e-02 -4.959975038e-02 4.86 -4.788144651e-02 -4.788144651e-02 4.88 -4.622251592e-02 -4.622251592e-02 4.90 -4.462066625e-02 -4.462066625e-02 4.92 -4.307369066e-02 -4.307369066e-02 4.94 -4.157946156e-02 -4.157946156e-02 4.96 -4.013592520e-02 -4.013592520e-02 4.98 -3.874109535e-02 -3.874109535e-02 5.00 -3.739304961e-02 -3.739304961e-02 5.02 -3.608992564e-02 -3.608992564e-02 5.04 -3.482991807e-02 -3.482991807e-02 5.06 -3.361127605e-02 -3.361127605e-02 5.08 -3.243230168e-02 -3.243230168e-02 5.10 -3.129134936e-02 -3.129134936e-02 5.12 -3.018682630e-02 -3.018682630e-02 5.14 -2.911719417e-02 -2.911719417e-02 5.16 -2.808097219e-02 -2.808097219e-02 5.18 -2.707674166e-02 -2.707674166e-02 5.20 -2.610315209e-02 -2.610315209e-02 5.22 -2.515892889e-02 -2.515892889e-02 5.24 -2.424288249e-02 -2.424288249e-02 5.26 -2.335391863e-02 -2.335391863e-02 5.28 -2.249104932e-02 -2.249104932e-02 5.30 -2.165340369e-02 -2.165340369e-02 5.32 -2.084023771e-02 -2.084023771e-02 5.34 -2.005094107e-02 -2.005094107e-02 5.36 -1.928500849e-02 -1.928500849e-02 5.38 -1.854209268e-02 -1.854209268e-02 5.40 -1.782199579e-02 -1.782199579e-02 5.42 -1.712463150e-02 -1.712463150e-02 5.44 -1.645000226e-02 -1.645000226e-02 5.46 -1.579816964e-02 -1.579816964e-02 5.48 -1.516921943e-02 -1.516921943e-02 5.50 -1.456322401e-02 -1.456322401e-02 5.52 -1.398020485e-02 -1.398020485e-02 5.54 -1.342009864e-02 -1.342009864e-02 5.56 -1.288272981e-02 -1.288272981e-02 5.58 -1.236779173e-02 -1.236779173e-02 5.60 -1.187483781e-02 -1.187483781e-02 5.62 -1.140328240e-02 -1.140328240e-02 5.64 -1.095241055e-02 -1.095241055e-02 5.66 -1.052139464e-02 -1.052139464e-02 5.68 -1.010931574e-02 -1.010931574e-02 5.70 -9.715187143e-03 -9.715187143e-03 5.72 -9.337978136e-03 -9.337978136e-03 5.74 -8.976636218e-03 -8.976636218e-03 5.76 -8.630106606e-03 -8.630106606e-03 5.78 -8.297348437e-03 -8.297348437e-03 5.80 -7.977347465e-03 -7.977347465e-03 5.82 -7.669125439e-03 -7.669125439e-03 5.84 -7.371746555e-03 -7.371746555e-03 5.86 -7.084321538e-03 -7.084321538e-03 5.88 -6.806009944e-03 -6.806009944e-03 5.90 -6.536021265e-03 -6.536021265e-03 5.92 -6.273615379e-03 -6.273615379e-03 5.94 -6.018102818e-03 -6.018102818e-03 5.96 -5.768845249e-03 -5.768845249e-03 5.98 -5.525256462e-03 -5.525256462e-03 6.00 -5.286804109e-03 -5.286804109e-03