# 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 = Ag2AlPt # 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 2.308950235e+02 2.308950235e+02 1.30 2.146246266e+02 2.146246266e+02 1.32 1.994797876e+02 1.994797876e+02 1.34 1.853815931e+02 1.853815931e+02 1.36 1.722574634e+02 1.722574634e+02 1.38 1.600349258e+02 1.600349258e+02 1.40 1.486410836e+02 1.486410836e+02 1.42 1.380068757e+02 1.380068757e+02 1.44 1.280718359e+02 1.280718359e+02 1.46 1.187859661e+02 1.187859661e+02 1.48 1.101079171e+02 1.101079171e+02 1.50 1.020010494e+02 1.020010494e+02 1.52 9.442980676e+01 9.442980676e+01 1.54 8.735791487e+01 8.735791487e+01 1.56 8.074849333e+01 8.074849333e+01 1.58 7.456521844e+01 7.456521844e+01 1.60 6.877354291e+01 6.877354291e+01 1.62 6.334153371e+01 6.334153371e+01 1.64 5.824043334e+01 5.824043334e+01 1.66 5.344792850e+01 5.344792850e+01 1.68 4.899210475e+01 4.899210475e+01 1.70 4.486817377e+01 4.486817377e+01 1.72 4.105473808e+01 4.105473808e+01 1.74 3.753065917e+01 3.753065917e+01 1.76 3.427526987e+01 3.427526987e+01 1.78 3.126797375e+01 3.126797375e+01 1.80 2.848861491e+01 2.848861491e+01 1.82 2.591822562e+01 2.591822562e+01 1.84 2.353962549e+01 2.353962549e+01 1.86 2.133763346e+01 2.133763346e+01 1.88 1.929895055e+01 1.929895055e+01 1.90 1.741186960e+01 1.741186960e+01 1.92 1.566592598e+01 1.566592598e+01 1.94 1.405154944e+01 1.405154944e+01 1.96 1.255976945e+01 1.255976945e+01 1.98 1.118203176e+01 1.118203176e+01 2.00 9.910150075e+00 9.910150075e+00 2.02 8.736353925e+00 8.736353925e+00 2.04 7.653359837e+00 7.653359837e+00 2.06 6.654408049e+00 6.654408049e+00 2.08 5.733247631e+00 5.733247631e+00 2.10 4.884085051e+00 4.884085051e+00 2.12 4.101524218e+00 4.101524218e+00 2.14 3.380522576e+00 3.380522576e+00 2.16 2.716375505e+00 2.716375505e+00 2.18 2.104726026e+00 2.104726026e+00 2.20 1.541585662e+00 1.541585662e+00 2.22 1.023349757e+00 1.023349757e+00 2.24 5.467961322e-01 5.467961322e-01 2.26 1.090646148e-01 1.090646148e-01 2.28 -2.923783709e-01 -2.923783709e-01 2.30 -6.597836979e-01 -6.597836979e-01 2.32 -9.951667836e-01 -9.951667836e-01 2.34 -1.300354868e+00 -1.300354868e+00 2.36 -1.577032714e+00 -1.577032714e+00 2.38 -1.826785202e+00 -1.826785202e+00 2.40 -2.051237096e+00 -2.051237096e+00 2.42 -2.253010112e+00 -2.253010112e+00 2.44 -2.433616557e+00 -2.433616557e+00 2.46 -2.594237563e+00 -2.594237563e+00 2.48 -2.736132819e+00 -2.736132819e+00 2.50 -2.860640647e+00 -2.860640647e+00 2.52 -2.969168902e+00 -2.969168902e+00 2.54 -3.063173262e+00 -3.063173262e+00 2.56 -3.144122446e+00 -3.144122446e+00 2.58 -3.213454134e+00 -3.213454134e+00 2.60 -3.272528052e+00 -3.272528052e+00 2.62 -3.322582414e+00 -3.322582414e+00 2.64 -3.364698483e+00 -3.364698483e+00 2.66 -3.399776976e+00 -3.399776976e+00 2.68 -3.428529919e+00 -3.428529919e+00 2.70 -3.451489631e+00 -3.451489631e+00 2.72 -3.469305163e+00 -3.469305163e+00 2.74 -3.482661738e+00 -3.482661738e+00 2.76 -3.491488974e+00 -3.491488974e+00 2.78 -3.495695722e+00 -3.495695722e+00 2.80 -3.495209845e+00 -3.495209845e+00 2.82 -3.489989553e+00 -3.489989553e+00 2.84 -3.480031407e+00 -3.480031407e+00 2.86 -3.465377077e+00 -3.465377077e+00 2.88 -3.446120594e+00 -3.446120594e+00 2.90 -3.422420883e+00 -3.422420883e+00 2.92 -3.394597638e+00 -3.394597638e+00 2.94 -3.363019452e+00 -3.363019452e+00 2.96 -3.327950238e+00 -3.327950238e+00 2.98 -3.289733569e+00 -3.289733569e+00 3.00 -3.248775444e+00 -3.248775444e+00 3.02 -3.205518549e+00 -3.205518549e+00 3.04 -3.160414127e+00 -3.160414127e+00 3.06 -3.113895431e+00 -3.113895431e+00 3.08 -3.066355656e+00 -3.066355656e+00 3.10 -3.018132238e+00 -3.018132238e+00 3.12 -2.969499508e+00 -2.969499508e+00 3.14 -2.920671369e+00 -2.920671369e+00 3.16 -2.871797547e+00 -2.871797547e+00 3.18 -2.822969437e+00 -2.822969437e+00 3.20 -2.774231340e+00 -2.774231340e+00 3.22 -2.725599627e+00 -2.725599627e+00 3.24 -2.677108807e+00 -2.677108807e+00 3.26 -2.628786299e+00 -2.628786299e+00 3.28 -2.580643209e+00 -2.580643209e+00 3.30 -2.532683562e+00 -2.532683562e+00 3.32 -2.484910741e+00 -2.484910741e+00 3.34 -2.437331649e+00 -2.437331649e+00 3.36 -2.389959126e+00 -2.389959126e+00 3.38 -2.342813046e+00 -2.342813046e+00 3.40 -2.295920438e+00 -2.295920438e+00 3.42 -2.249314909e+00 -2.249314909e+00 3.44 -2.203035516e+00 -2.203035516e+00 3.46 -2.157125326e+00 -2.157125326e+00 3.48 -2.111629757e+00 -2.111629757e+00 3.50 -2.066594845e+00 -2.066594845e+00 3.52 -2.022065533e+00 -2.022065533e+00 3.54 -1.978084083e+00 -1.978084083e+00 3.56 -1.934688661e+00 -1.934688661e+00 3.58 -1.891912139e+00 -1.891912139e+00 3.60 -1.849781153e+00 -1.849781153e+00 3.62 -1.808315402e+00 -1.808315402e+00 3.64 -1.767527216e+00 -1.767527216e+00 3.66 -1.727421372e+00 -1.727421372e+00 3.68 -1.687995156e+00 -1.687995156e+00 3.70 -1.649238676e+00 -1.649238676e+00 3.72 -1.611135396e+00 -1.611135396e+00 3.74 -1.573662898e+00 -1.573662898e+00 3.76 -1.536793817e+00 -1.536793817e+00 3.78 -1.500496937e+00 -1.500496937e+00 3.80 -1.464738357e+00 -1.464738357e+00 3.82 -1.429482703e+00 -1.429482703e+00 3.84 -1.394694273e+00 -1.394694273e+00 3.86 -1.360338083e+00 -1.360338083e+00 3.88 -1.326380750e+00 -1.326380750e+00 3.90 -1.292791184e+00 -1.292791184e+00 3.92 -1.259541101e+00 -1.259541101e+00 3.94 -1.226605399e+00 -1.226605399e+00 3.96 -1.193962412e+00 -1.193962412e+00 3.98 -1.161594193e+00 -1.161594193e+00 4.00 -1.129486843e+00 -1.129486843e+00 4.02 -1.097630991e+00 -1.097630991e+00 4.04 -1.066022445e+00 -1.066022445e+00 4.06 -1.034663032e+00 -1.034663032e+00 4.08 -1.003561553e+00 -1.003561553e+00 4.10 -9.727347498e-01 -9.727347498e-01 4.12 -9.422081727e-01 -9.422081727e-01 4.14 -9.120165765e-01 -9.120165765e-01 4.16 -8.822039063e-01 -8.822039063e-01 4.18 -8.528225101e-01 -8.528225101e-01 4.20 -8.239315828e-01 -8.239315828e-01 4.22 -7.955948559e-01 -7.955948559e-01 4.24 -7.678776779e-01 -7.678776779e-01 4.26 -7.408437276e-01 -7.408437276e-01 4.28 -7.145516604e-01 -7.145516604e-01 4.30 -6.890519917e-01 -6.890519917e-01 4.32 -6.643844767e-01 -6.643844767e-01 4.34 -6.405761697e-01 -6.405761697e-01 4.36 -6.176402564e-01 -6.176402564e-01 4.38 -5.955756710e-01 -5.955756710e-01 4.40 -5.743674400e-01 -5.743674400e-01 4.42 -5.539876515e-01 -5.539876515e-01 4.44 -5.343969121e-01 -5.343969121e-01 4.46 -5.155461459e-01 -5.155461459e-01 4.48 -4.973785861e-01 -4.973785861e-01 4.50 -4.798318247e-01 -4.798318247e-01 4.52 -4.628398119e-01 -4.628398119e-01 4.54 -4.463347272e-01 -4.463347272e-01 4.56 -4.302486809e-01 -4.302486809e-01 4.58 -4.145152349e-01 -4.145152349e-01 4.60 -3.990707614e-01 -3.990707614e-01 4.62 -3.838556700e-01 -3.838556700e-01 4.64 -3.688155419e-01 -3.688155419e-01 4.66 -3.539022048e-01 -3.539022048e-01 4.68 -3.390747676e-01 -3.390747676e-01 4.70 -3.243006140e-01 -3.243006140e-01 4.72 -3.095563310e-01 -3.095563310e-01 4.74 -2.948285223e-01 -2.948285223e-01 4.76 -2.801144395e-01 -2.801144395e-01 4.78 -2.654223503e-01 -2.654223503e-01 4.80 -2.507715579e-01 -2.507715579e-01 4.82 -2.361920483e-01 -2.361920483e-01 4.84 -2.217236162e-01 -2.217236162e-01 4.86 -2.074146200e-01 -2.074146200e-01 4.88 -1.933202864e-01 -1.933202864e-01 4.90 -1.795006916e-01 -1.795006916e-01 4.92 -1.660185154e-01 -1.660185154e-01 4.94 -1.529366911e-01 -1.529366911e-01 4.96 -1.403160759e-01 -1.403160759e-01 4.98 -1.282132589e-01 -1.282132589e-01 5.00 -1.166786082e-01 -1.166786082e-01 5.02 -1.057546435e-01 -1.057546435e-01 5.04 -9.547479635e-02 -9.547479635e-02 5.06 -8.586259780e-02 -8.586259780e-02 5.08 -7.693132062e-02 -7.693132062e-02 5.10 -6.868406633e-02 -6.868406633e-02 5.12 -6.111427667e-02 -6.111427667e-02 5.14 -5.420659556e-02 -5.420659556e-02 5.16 -4.793801217e-02 -4.793801217e-02 5.18 -4.227919241e-02 -4.227919241e-02 5.20 -3.719601573e-02 -3.719601573e-02 5.22 -3.265106585e-02 -3.265106585e-02 5.24 -2.860426534e-02 -2.860426534e-02 5.26 -2.501469207e-02 -2.501469207e-02 5.28 -2.184164824e-02 -2.184164824e-02 5.30 -1.904548448e-02 -1.904548448e-02 5.32 -1.658816878e-02 -1.658816878e-02 5.34 -1.443342710e-02 -1.443342710e-02 5.36 -1.254819824e-02 -1.254819824e-02 5.38 -1.090202996e-02 -1.090202996e-02 5.40 -9.467015397e-03 -9.467015397e-03 5.42 -8.217829024e-03 -8.217829024e-03 5.44 -7.131675124e-03 -7.131675124e-03 5.46 -6.188175866e-03 -6.188175866e-03 5.48 -5.369220410e-03 -5.369220410e-03 5.50 -4.658791632e-03 -4.658791632e-03 5.52 -4.042782864e-03 -4.042782864e-03 5.54 -3.508813631e-03 -3.508813631e-03 5.56 -3.046050608e-03 -3.046050608e-03 5.58 -2.645037907e-03 -2.645037907e-03 5.60 -2.297539167e-03 -2.297539167e-03 5.62 -1.996392746e-03 -1.996392746e-03 5.64 -1.735380428e-03 -1.735380428e-03 5.66 -1.509109479e-03 -1.509109479e-03 5.68 -1.312907487e-03 -1.312907487e-03 5.70 -1.142729175e-03 -1.142729175e-03 5.72 -9.950742470e-04 -9.950742470e-04 5.74 -8.669152586e-04 -8.669152586e-04 5.76 -7.556345161e-04 -7.556345161e-04 5.78 -6.589690327e-04 -6.589690327e-04 5.80 -5.749626293e-04 -5.749626293e-04 5.82 -5.019243364e-04 -5.019243364e-04 5.84 -4.383923265e-04 -4.383923265e-04 5.86 -3.831026854e-04 -3.831026854e-04 5.88 -3.349624008e-04 -3.349624008e-04 5.90 -2.930260215e-04 -2.930260215e-04 5.92 -2.564754993e-04 -2.564754993e-04 5.94 -2.246027909e-04 -2.246027909e-04 5.96 -1.967948467e-04 -1.967948467e-04 5.98 -1.725206615e-04 -1.725206615e-04 6.00 -1.513201079e-04 -1.513201079e-04