# 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 = AlCoW2 # 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 2.525889980e+02 2.525889980e+02 1.30 2.329620398e+02 2.329620398e+02 1.32 2.148737425e+02 2.148737425e+02 1.34 1.981878025e+02 1.981878025e+02 1.36 1.827791004e+02 1.827791004e+02 1.38 1.685351829e+02 1.685351829e+02 1.40 1.553568848e+02 1.553568848e+02 1.42 1.431571211e+02 1.431571211e+02 1.44 1.318582730e+02 1.318582730e+02 1.46 1.213896585e+02 1.213896585e+02 1.48 1.116864773e+02 1.116864773e+02 1.50 1.026901538e+02 1.026901538e+02 1.52 9.434872865e+01 9.434872865e+01 1.54 8.661636284e+01 8.661636284e+01 1.56 7.945217503e+01 7.945217503e+01 1.58 7.281896904e+01 7.281896904e+01 1.60 6.668209650e+01 6.668209650e+01 1.62 6.100849416e+01 6.100849416e+01 1.64 5.576596162e+01 5.576596162e+01 1.66 5.092282250e+01 5.092282250e+01 1.68 4.644808379e+01 4.644808379e+01 1.70 4.231198716e+01 4.231198716e+01 1.72 3.848661060e+01 3.848661060e+01 1.74 3.494623051e+01 3.494623051e+01 1.76 3.166743656e+01 3.166743656e+01 1.78 2.862915020e+01 2.862915020e+01 1.80 2.581319713e+01 2.581319713e+01 1.82 2.320404109e+01 2.320404109e+01 1.84 2.078722645e+01 2.078722645e+01 1.86 1.855005912e+01 1.855005912e+01 1.88 1.648137985e+01 1.648137985e+01 1.90 1.457272998e+01 1.457272998e+01 1.92 1.281523302e+01 1.281523302e+01 1.94 1.119892188e+01 1.119892188e+01 1.96 9.713981344e+00 9.713981344e+00 1.98 8.350765676e+00 8.350765676e+00 2.00 7.099923224e+00 7.099923224e+00 2.02 5.952541139e+00 5.952541139e+00 2.04 4.900225953e+00 4.900225953e+00 2.06 3.935086308e+00 3.935086308e+00 2.08 3.049652057e+00 3.049652057e+00 2.10 2.236801137e+00 2.236801137e+00 2.12 1.489751790e+00 1.489751790e+00 2.14 8.021337875e-01 8.021337875e-01 2.16 1.681103040e-01 1.681103040e-01 2.18 -4.174992822e-01 -4.174992822e-01 2.20 -9.591427007e-01 -9.591427007e-01 2.22 -1.460530574e+00 -1.460530574e+00 2.24 -1.924703578e+00 -1.924703578e+00 2.26 -2.354148217e+00 -2.354148217e+00 2.28 -2.750930152e+00 -2.750930152e+00 2.30 -3.116818398e+00 -3.116818398e+00 2.32 -3.453384898e+00 -3.453384898e+00 2.34 -3.762074850e+00 -3.762074850e+00 2.36 -4.044251258e+00 -4.044251258e+00 2.38 -4.301220463e+00 -4.301220463e+00 2.40 -4.534215205e+00 -4.534215205e+00 2.42 -4.744312447e+00 -4.744312447e+00 2.44 -4.932844569e+00 -4.932844569e+00 2.46 -5.101140075e+00 -5.101140075e+00 2.48 -5.250476843e+00 -5.250476843e+00 2.50 -5.382089365e+00 -5.382089365e+00 2.52 -5.497174723e+00 -5.497174723e+00 2.54 -5.596898512e+00 -5.596898512e+00 2.56 -5.682354477e+00 -5.682354477e+00 2.58 -5.754143187e+00 -5.754143187e+00 2.60 -5.812639815e+00 -5.812639815e+00 2.62 -5.858296757e+00 -5.858296757e+00 2.64 -5.891607534e+00 -5.891607534e+00 2.66 -5.913064388e+00 -5.913064388e+00 2.68 -5.923124592e+00 -5.923124592e+00 2.70 -5.922193255e+00 -5.922193255e+00 2.72 -5.910623968e+00 -5.910623968e+00 2.74 -5.888732538e+00 -5.888732538e+00 2.76 -5.856816687e+00 -5.856816687e+00 2.78 -5.815175827e+00 -5.815175827e+00 2.80 -5.764131028e+00 -5.764131028e+00 2.82 -5.704070091e+00 -5.704070091e+00 2.84 -5.635368685e+00 -5.635368685e+00 2.86 -5.558445931e+00 -5.558445931e+00 2.88 -5.473798037e+00 -5.473798037e+00 2.90 -5.382009433e+00 -5.382009433e+00 2.92 -5.283762020e+00 -5.283762020e+00 2.94 -5.179901995e+00 -5.179901995e+00 2.96 -5.072023850e+00 -5.072023850e+00 2.98 -4.961027382e+00 -4.961027382e+00 3.00 -4.847588502e+00 -4.847588502e+00 3.02 -4.732426794e+00 -4.732426794e+00 3.04 -4.616285149e+00 -4.616285149e+00 3.06 -4.499877083e+00 -4.499877083e+00 3.08 -4.383837321e+00 -4.383837321e+00 3.10 -4.268688332e+00 -4.268688332e+00 3.12 -4.154827383e+00 -4.154827383e+00 3.14 -4.042492850e+00 -4.042492850e+00 3.16 -3.931763622e+00 -3.931763622e+00 3.18 -3.822576615e+00 -3.822576615e+00 3.20 -3.714753610e+00 -3.714753610e+00 3.22 -3.608033362e+00 -3.608033362e+00 3.24 -3.502105360e+00 -3.502105360e+00 3.26 -3.396642595e+00 -3.396642595e+00 3.28 -3.291331759e+00 -3.291331759e+00 3.30 -3.185900065e+00 -3.185900065e+00 3.32 -3.080138356e+00 -3.080138356e+00 3.34 -2.973920287e+00 -2.973920287e+00 3.36 -2.867217169e+00 -2.867217169e+00 3.38 -2.760107843e+00 -2.760107843e+00 3.40 -2.652782711e+00 -2.652782711e+00 3.42 -2.545541048e+00 -2.545541048e+00 3.44 -2.438780966e+00 -2.438780966e+00 3.46 -2.332982044e+00 -2.332982044e+00 3.48 -2.228681393e+00 -2.228681393e+00 3.50 -2.126444883e+00 -2.126444883e+00 3.52 -2.026836001e+00 -2.026836001e+00 3.54 -1.930385251e+00 -1.930385251e+00 3.56 -1.837562982e+00 -1.837562982e+00 3.58 -1.748758026e+00 -1.748758026e+00 3.60 -1.664263675e+00 -1.664263675e+00 3.62 -1.584271522e+00 -1.584271522e+00 3.64 -1.508872664e+00 -1.508872664e+00 3.66 -1.438065053e+00 -1.438065053e+00 3.68 -1.371765309e+00 -1.371765309e+00 3.70 -1.309823168e+00 -1.309823168e+00 3.72 -1.252036899e+00 -1.252036899e+00 3.74 -1.198168337e+00 -1.198168337e+00 3.76 -1.147956531e+00 -1.147956531e+00 3.78 -1.101129456e+00 -1.101129456e+00 3.80 -1.057413516e+00 -1.057413516e+00 3.82 -1.016540845e+00 -1.016540845e+00 3.84 -9.782545816e-01 -9.782545816e-01 3.86 -9.423123964e-01 -9.423123964e-01 3.88 -9.084885600e-01 -9.084885600e-01 3.90 -8.765748826e-01 -8.765748826e-01 3.92 -8.463807992e-01 -8.463807992e-01 3.94 -8.177328704e-01 -8.177328704e-01 3.96 -7.904738612e-01 -7.904738612e-01 3.98 -7.644616371e-01 -7.644616371e-01 4.00 -7.395679614e-01 -7.395679614e-01 4.02 -7.156773230e-01 -7.156773230e-01 4.04 -6.926858743e-01 -6.926858743e-01 4.06 -6.705005392e-01 -6.705005392e-01 4.08 -6.490383359e-01 -6.490383359e-01 4.10 -6.282259243e-01 -6.282259243e-01 4.12 -6.079994604e-01 -6.079994604e-01 4.14 -5.883045342e-01 -5.883045342e-01 4.16 -5.690964154e-01 -5.690964154e-01 4.18 -5.503403068e-01 -5.503403068e-01 4.20 -5.320115749e-01 -5.320115749e-01 4.22 -5.140957977e-01 -5.140957977e-01 4.24 -4.965884635e-01 -4.965884635e-01 4.26 -4.794941876e-01 -4.794941876e-01 4.28 -4.628253533e-01 -4.628253533e-01 4.30 -4.466001641e-01 -4.466001641e-01 4.32 -4.308402185e-01 -4.308402185e-01 4.34 -4.155677871e-01 -4.155677871e-01 4.36 -4.008030622e-01 -4.008030622e-01 4.38 -3.865615245e-01 -3.865615245e-01 4.40 -3.728521480e-01 -3.728521480e-01 4.42 -3.596764247e-01 -3.596764247e-01 4.44 -3.470274012e-01 -3.470274012e-01 4.46 -3.348898557e-01 -3.348898557e-01 4.48 -3.232410448e-01 -3.232410448e-01 4.50 -3.120518331e-01 -3.120518331e-01 4.52 -3.012880208e-01 -3.012880208e-01 4.54 -2.909117146e-01 -2.909117146e-01 4.56 -2.808826199e-01 -2.808826199e-01 4.58 -2.711591889e-01 -2.711591889e-01 4.60 -2.616995913e-01 -2.616995913e-01 4.62 -2.524624411e-01 -2.524624411e-01 4.64 -2.434074921e-01 -2.434074921e-01 4.66 -2.344964961e-01 -2.344964961e-01 4.68 -2.256933780e-01 -2.256933780e-01 4.70 -2.169647551e-01 -2.169647551e-01 4.72 -2.082804955e-01 -2.082804955e-01 4.74 -1.996143256e-01 -1.996143256e-01 4.76 -1.909445042e-01 -1.909445042e-01 4.78 -1.822545588e-01 -1.822545588e-01 4.80 -1.735340530e-01 -1.735340530e-01 4.82 -1.647793716e-01 -1.647793716e-01 4.84 -1.559943608e-01 -1.559943608e-01 4.86 -1.471908552e-01 -1.471908552e-01 4.88 -1.383888976e-01 -1.383888976e-01 4.90 -1.296165900e-01 -1.296165900e-01 4.92 -1.209094903e-01 -1.209094903e-01 4.94 -1.123095137e-01 -1.123095137e-01 4.96 -1.038633488e-01 -1.038633488e-01 4.98 -9.562046272e-02 -9.562046272e-02 5.00 -8.763082861e-02 -8.763082861e-02 5.02 -7.994255489e-02 -7.994255489e-02 5.04 -7.259961927e-02 -7.259961927e-02 5.06 -6.563990069e-02 -6.563990069e-02 5.08 -5.909366667e-02 -5.909366667e-02 5.10 -5.298261475e-02 -5.298261475e-02 5.12 -4.731949939e-02 -4.731949939e-02 5.14 -4.210831064e-02 -4.210831064e-02 5.16 -3.734491954e-02 -3.734491954e-02 5.18 -3.301807313e-02 -3.301807313e-02 5.20 -2.911060836e-02 -2.911060836e-02 5.22 -2.560076207e-02 -2.560076207e-02 5.24 -2.246347320e-02 -2.246347320e-02 5.26 -1.967159365e-02 -1.967159365e-02 5.28 -1.719688636e-02 -1.719688636e-02 5.30 -1.501070141e-02 -1.501070141e-02 5.32 -1.308556890e-02 -1.308556890e-02 5.34 -1.139511213e-02 -1.139511213e-02 5.36 -9.914351166e-03 -9.914351166e-03 5.38 -8.619989760e-03 -8.619989760e-03 5.40 -7.490575341e-03 -7.490575341e-03 5.42 -6.506560190e-03 -6.506560190e-03 5.44 -5.650288797e-03 -5.650288797e-03 5.46 -4.905932644e-03 -4.905932644e-03 5.48 -4.259389738e-03 -4.259389738e-03 5.50 -3.698162589e-03 -3.698162589e-03 5.52 -3.211225068e-03 -3.211225068e-03 5.54 -2.788885836e-03 -2.788885836e-03 5.56 -2.422653826e-03 -2.422653826e-03 5.58 -2.105109443e-03 -2.105109443e-03 5.60 -1.829783843e-03 -1.829783843e-03 5.62 -1.591047579e-03 -1.591047579e-03 5.64 -1.384009190e-03 -1.384009190e-03 5.66 -1.204423779e-03 -1.204423779e-03 5.68 -1.048611261e-03 -1.048611261e-03 5.70 -9.133837536e-04 -9.133837536e-04 5.72 -7.959814431e-04 -7.959814431e-04 5.74 -6.940161884e-04 -6.940161884e-04 5.76 -6.054221201e-04 -6.054221201e-04 5.78 -5.284125007e-04 -5.284125007e-04 5.80 -4.614421514e-04 -4.614421514e-04 5.82 -4.031747948e-04 -4.031747948e-04 5.84 -3.524547229e-04 -3.524547229e-04 5.86 -3.082822501e-04 -3.082822501e-04 5.88 -2.697924727e-04 -2.697924727e-04 5.90 -2.362369044e-04 -2.362369044e-04 5.92 -2.069676115e-04 -2.069676115e-04 5.94 -1.814235138e-04 -1.814235138e-04 5.96 -1.591185616e-04 -1.591185616e-04 5.98 -1.396315330e-04 -1.396315330e-04 6.00 -1.225972327e-04 -1.225972327e-04