# 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 = CoZr2 # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 3.492012022e+02 1.16 3.225140419e+02 1.18 2.979439032e+02 1.20 2.753045562e+02 1.22 2.544277460e+02 1.24 2.351627989e+02 1.26 2.173754741e+02 1.28 2.009446016e+02 1.30 1.857589745e+02 1.32 1.717162343e+02 1.34 1.587226884e+02 1.36 1.466933135e+02 1.38 1.355516815e+02 1.40 1.252291744e+02 1.42 1.156633560e+02 1.44 1.067963622e+02 1.46 9.857417669e+01 1.48 9.094681054e+01 1.50 8.386855804e+01 1.52 7.729777528e+01 1.54 7.119624148e+01 1.56 6.552879511e+01 1.58 6.026332749e+01 1.60 5.537071910e+01 1.62 5.082438787e+01 1.64 4.659972454e+01 1.66 4.267365102e+01 1.68 3.902448860e+01 1.70 3.563211202e+01 1.72 3.247798975e+01 1.74 2.954508508e+01 1.76 2.681766993e+01 1.78 2.428122004e+01 1.80 2.192269974e+01 1.82 1.973099557e+01 1.84 1.769453153e+01 1.86 1.580238593e+01 1.88 1.404464067e+01 1.90 1.241280086e+01 1.92 1.089860417e+01 1.94 9.494447045e+00 1.96 8.193240780e+00 1.98 6.988272435e+00 2.00 5.873166749e+00 2.02 4.841891776e+00 2.04 3.888773369e+00 2.06 3.008484432e+00 2.08 2.196001922e+00 2.10 1.446583235e+00 2.12 7.557524327e-01 2.14 1.193121696e-01 2.16 -4.666258273e-01 2.18 -1.005643676e+00 2.20 -1.501027142e+00 2.22 -1.955827013e+00 2.24 -2.372896707e+00 2.26 -2.754898151e+00 2.28 -3.104301186e+00 2.30 -3.423324784e+00 2.32 -3.713970400e+00 2.34 -3.978019917e+00 2.36 -4.217101882e+00 2.38 -4.432741857e+00 2.40 -4.626409895e+00 2.42 -4.799564664e+00 2.44 -4.953659716e+00 2.46 -5.090149642e+00 2.48 -5.210463754e+00 2.50 -5.315970060e+00 2.52 -5.407940818e+00 2.54 -5.487531144e+00 2.56 -5.555864330e+00 2.58 -5.613934045e+00 2.60 -5.662370033e+00 2.62 -5.701759183e+00 2.64 -5.732665642e+00 2.66 -5.755616014e+00 2.68 -5.771115421e+00 2.70 -5.779650530e+00 2.72 -5.781618984e+00 2.74 -5.777090397e+00 2.76 -5.766127123e+00 2.78 -5.748870357e+00 2.80 -5.725533632e+00 2.82 -5.696352447e+00 2.84 -5.661589108e+00 2.86 -5.621516980e+00 2.88 -5.576437525e+00 2.90 -5.526656392e+00 2.92 -5.472426653e+00 2.94 -5.414012187e+00 2.96 -5.351688698e+00 2.98 -5.285742495e+00 3.00 -5.216468579e+00 3.02 -5.144168002e+00 3.04 -5.069137465e+00 3.06 -4.991696521e+00 3.08 -4.912124261e+00 3.10 -4.830664742e+00 3.12 -4.747556881e+00 3.14 -4.663054214e+00 3.16 -4.577407519e+00 3.18 -4.490872939e+00 3.20 -4.403703659e+00 3.22 -4.316143932e+00 3.24 -4.228424204e+00 3.26 -4.140758663e+00 3.28 -4.053345231e+00 3.30 -3.966366670e+00 3.32 -3.879991067e+00 3.34 -3.794370567e+00 3.36 -3.709638521e+00 3.38 -3.625906235e+00 3.40 -3.543258175e+00 3.42 -3.461763055e+00 3.44 -3.381458165e+00 3.46 -3.302365559e+00 3.48 -3.224492756e+00 3.50 -3.147836506e+00 3.52 -3.072385722e+00 3.54 -2.998123430e+00 3.56 -2.925027872e+00 3.58 -2.853073036e+00 3.60 -2.782228942e+00 3.62 -2.712461977e+00 3.64 -2.643735557e+00 3.66 -2.576011311e+00 3.68 -2.509250918e+00 3.70 -2.443418666e+00 3.72 -2.378484693e+00 3.74 -2.314428756e+00 3.76 -2.251244248e+00 3.78 -2.188941985e+00 3.80 -2.127553168e+00 3.82 -2.067130773e+00 3.84 -2.007748686e+00 3.86 -1.949498096e+00 3.88 -1.892481129e+00 3.90 -1.836802301e+00 3.92 -1.782554128e+00 3.94 -1.729828486e+00 3.96 -1.678677442e+00 3.98 -1.629132090e+00 4.00 -1.581195965e+00 4.02 -1.534847506e+00 4.04 -1.490044618e+00 4.06 -1.446730252e+00 4.08 -1.404838049e+00 4.10 -1.364292729e+00 4.12 -1.325033467e+00 4.14 -1.286986252e+00 4.16 -1.250087255e+00 4.18 -1.214278119e+00 4.20 -1.179506296e+00 4.22 -1.145724934e+00 4.24 -1.112892453e+00 4.26 -1.080971961e+00 4.28 -1.049930600e+00 4.30 -1.019738877e+00 4.32 -9.903700482e-01 4.34 -9.617995570e-01 4.36 -9.340045521e-01 4.38 -9.069634817e-01 4.40 -8.806557615e-01 4.42 -8.550615089e-01 4.44 -8.301613343e-01 4.46 -8.059361801e-01 4.48 -7.823671986e-01 4.50 -7.594356616e-01 4.52 -7.371228957e-01 4.54 -7.154102395e-01 4.56 -6.942790196e-01 4.58 -6.737105445e-01 4.60 -6.536861170e-01 4.62 -6.341870679e-01 4.64 -6.151948116e-01 4.66 -5.966909299e-01 4.68 -5.786572858e-01 4.70 -5.610761734e-01 4.72 -5.439305039e-01 4.74 -5.272040301e-01 4.76 -5.108816046e-01 4.78 -4.949494635e-01 4.80 -4.793872825e-01 4.82 -4.642027954e-01 4.84 -4.493781781e-01 4.86 -4.349078538e-01 4.88 -4.207885882e-01 4.90 -4.070193503e-01 4.92 -3.936009858e-01 4.94 -3.805357026e-01 4.96 -3.678263900e-01 4.98 -3.554758234e-01 5.00 -3.434858297e-01 5.02 -3.318565019e-01 5.04 -3.205855462e-01 5.06 -3.096678324e-01 5.08 -2.990951863e-01 5.10 -2.888564315e-01 5.12 -2.789376572e-01 5.14 -2.693226673e-01 5.16 -2.599935556e-01 5.18 -2.509313528e-01 5.20 -2.421166964e-01 5.22 -2.335304916e-01 5.24 -2.251545391e-01 5.26 -2.169721178e-01 5.28 -2.089685149e-01 5.30 -2.011314984e-01 5.32 -1.934517221e-01 5.34 -1.859230478e-01 5.36 -1.785427656e-01 5.38 -1.713116848e-01 5.40 -1.642340690e-01 5.42 -1.573173917e-01 5.44 -1.505719005e-01 5.46 -1.440099929e-01 5.48 -1.376454293e-01 5.50 -1.314924292e-01 5.52 -1.255647203e-01 5.54 -1.198746132e-01 5.56 -1.144321827e-01 5.58 -1.092446218e-01 5.60 -1.043155435e-01 5.62 -9.964512656e-02 5.64 -9.523061548e-02 5.66 -9.106595276e-02 5.68 -8.714219650e-02 5.70 -8.344804401e-02 5.72 -7.997039793e-02 5.74 -7.669492653e-02 5.76 -7.360658128e-02 5.78 -7.069004749e-02 5.80 -6.793011577e-02 5.82 -6.531197165e-02 5.84 -6.282140801e-02 5.86 -6.044496947e-02 5.88 -5.817004062e-02 5.90 -5.598489026e-02 5.92 -5.387868380e-02 5.94 -5.184147461e-02 5.96 -4.986418363e-02 5.98 -4.793857487e-02 6.00 -4.605723285e-02