# 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 = CuMo2 # 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 2.671725040e+02 1.16 2.452920588e+02 1.18 2.252609556e+02 1.20 2.069098532e+02 1.22 1.900852887e+02 1.24 1.746487482e+02 1.26 1.604762378e+02 1.28 1.474574424e+02 1.30 1.354928037e+02 1.32 1.244895571e+02 1.34 1.143592139e+02 1.36 1.050177054e+02 1.38 9.638761137e+01 1.40 8.840086415e+01 1.42 8.100012876e+01 1.44 7.413799187e+01 1.46 6.777459662e+01 1.48 6.187510636e+01 1.50 5.640800317e+01 1.52 5.134434298e+01 1.54 4.665744830e+01 1.56 4.232255426e+01 1.58 3.831660177e+01 1.60 3.462340707e+01 1.62 3.122431482e+01 1.64 2.809916297e+01 1.66 2.522896884e+01 1.68 2.259561755e+01 1.70 2.018159605e+01 1.72 1.796982020e+01 1.74 1.594339497e+01 1.76 1.408563597e+01 1.78 1.238036613e+01 1.80 1.081246734e+01 1.82 9.368515740e+00 1.84 8.037249132e+00 1.86 6.809681396e+00 1.88 5.678840204e+00 1.90 4.639250329e+00 1.92 3.686346521e+00 1.94 2.815972460e+00 1.96 2.024041499e+00 1.98 1.306351244e+00 2.00 6.584977222e-01 2.02 7.583552217e-02 2.04 -4.465413269e-01 2.06 -9.137929446e-01 2.08 -1.331280993e+00 2.10 -1.704451983e+00 2.12 -2.038657189e+00 2.14 -2.338935405e+00 2.16 -2.609804544e+00 2.18 -2.855111126e+00 2.20 -3.077970809e+00 2.22 -3.280806115e+00 2.24 -3.465457754e+00 2.26 -3.632913739e+00 2.28 -3.784567402e+00 2.30 -3.922031451e+00 2.32 -4.046684964e+00 2.34 -4.159745779e+00 2.36 -4.262286086e+00 2.38 -4.355219023e+00 2.40 -4.438995643e+00 2.42 -4.513492051e+00 2.44 -4.578626315e+00 2.46 -4.634391866e+00 2.48 -4.680831308e+00 2.50 -4.718016714e+00 2.52 -4.746033236e+00 2.54 -4.764965906e+00 2.56 -4.774890785e+00 2.58 -4.775871671e+00 2.60 -4.767962869e+00 2.62 -4.751217561e+00 2.64 -4.725700218e+00 2.66 -4.691500519e+00 2.68 -4.648757549e+00 2.70 -4.597893804e+00 2.72 -4.539023134e+00 2.74 -4.472171741e+00 2.76 -4.397450734e+00 2.78 -4.315047791e+00 2.80 -4.225223194e+00 2.82 -4.128312624e+00 2.84 -4.024736990e+00 2.86 -3.915019524e+00 2.88 -3.799821599e+00 2.90 -3.679939355e+00 2.92 -3.556293920e+00 2.94 -3.429922447e+00 2.96 -3.301953579e+00 2.98 -3.173567246e+00 3.00 -3.045941888e+00 3.02 -2.920194943e+00 3.04 -2.797324088e+00 3.06 -2.678156927e+00 3.08 -2.563315373e+00 3.10 -2.453198313e+00 3.12 -2.347983054e+00 3.14 -2.247643272e+00 3.16 -2.151979379e+00 3.18 -2.060656523e+00 3.20 -1.973245716e+00 3.22 -1.889264498e+00 3.24 -1.808214643e+00 3.26 -1.729615448e+00 3.28 -1.653031825e+00 3.30 -1.578096853e+00 3.32 -1.504528558e+00 3.34 -1.432140715e+00 3.36 -1.360847452e+00 3.38 -1.290661528e+00 3.40 -1.221686390e+00 3.42 -1.154102516e+00 3.44 -1.088149008e+00 3.46 -1.024101892e+00 3.48 -9.622509816e-01 3.50 -9.028772996e-01 3.52 -8.462329784e-01 3.54 -7.925252107e-01 3.56 -7.419052471e-01 3.58 -6.944627877e-01 3.60 -6.502254826e-01 3.62 -6.091627515e-01 3.64 -5.711928205e-01 3.66 -5.361917652e-01 3.68 -5.040034206e-01 3.70 -4.744492021e-01 3.72 -4.473371392e-01 3.74 -4.224696787e-01 3.76 -3.996500447e-01 3.78 -3.786871261e-01 3.80 -3.593989858e-01 3.82 -3.416151633e-01 3.84 -3.251779739e-01 3.86 -3.099430179e-01 3.88 -2.957790917e-01 3.90 -2.825676754e-01 3.92 -2.702021359e-01 3.94 -2.585867612e-01 3.96 -2.476357115e-01 3.98 -2.372719537e-01 4.00 -2.274262238e-01 4.02 -2.180360563e-01 4.04 -2.090448997e-01 4.06 -2.004012255e-01 4.08 -1.920579561e-01 4.10 -1.839722864e-01 4.12 -1.761048565e-01 4.14 -1.684195383e-01 4.16 -1.608833759e-01 4.18 -1.534666742e-01 4.20 -1.461432420e-01 4.22 -1.388907895e-01 4.24 -1.316914636e-01 4.26 -1.245324906e-01 4.28 -1.174068723e-01 4.30 -1.103140613e-01 4.32 -1.032605168e-01 4.34 -9.626002955e-02 4.36 -8.933369697e-02 4.38 -8.250944799e-02 4.40 -7.582105172e-02 4.42 -6.930660380e-02 4.44 -6.300655518e-02 4.46 -5.696144313e-02 4.48 -5.120950569e-02 4.50 -4.578442849e-02 4.52 -4.071346074e-02 4.54 -3.601605475e-02 4.56 -3.170318779e-02 4.58 -2.777733139e-02 4.60 -2.423300020e-02 4.62 -2.105746512e-02 4.64 -1.823226354e-02 4.66 -1.573557458e-02 4.68 -1.354256377e-02 4.70 -1.162671865e-02 4.72 -9.961022798e-03 4.74 -8.518890569e-03 4.76 -7.274863196e-03 4.78 -6.205086981e-03 4.80 -5.287605532e-03 4.82 -4.502502493e-03 4.84 -3.831929749e-03 4.86 -3.260053790e-03 4.88 -2.772946559e-03 4.90 -2.358442517e-03 4.92 -2.005978291e-03 4.94 -1.706426897e-03 4.96 -1.451934805e-03 4.98 -1.235767305e-03 5.00 -1.052165367e-03 5.02 -8.962156504e-04 5.04 -7.637341617e-04 5.06 -6.511633377e-04 5.08 -5.554818318e-04 5.10 -4.741260288e-04 5.12 -4.049221698e-04 5.14 -3.460279445e-04 5.16 -2.958824287e-04 5.18 -2.531633156e-04 5.20 -2.167504741e-04 5.22 -1.856949648e-04 5.24 -1.591927412e-04 5.26 -1.365623577e-04 5.28 -1.172260941e-04 5.30 -1.006939849e-04 5.32 -8.655031534e-05 5.34 -7.444220580e-05 5.36 -6.406996605e-05 5.38 -5.517894400e-05 5.40 -4.755263815e-05 5.42 -4.100687700e-05 5.44 -3.538489918e-05 5.46 -3.055319369e-05 5.48 -2.639798186e-05 5.50 -2.282224071e-05 5.52 -1.974318345e-05 5.54 -1.709012582e-05 5.56 -1.480267842e-05 5.58 -1.282921430e-05 5.60 -1.112556924e-05 5.62 -9.653938807e-06 5.64 -8.381941814e-06 5.66 -7.281824576e-06 5.68 -6.329784467e-06 5.70 -5.505394469e-06 5.72 -4.791113385e-06 5.74 -4.171868668e-06 5.76 -3.634700901e-06 5.78 -3.168460613e-06 5.80 -2.763549577e-06 5.82 -2.411699913e-06 5.84 -2.105785366e-06 5.86 -1.839659953e-06 5.88 -1.608019945e-06 5.90 -1.406285718e-06 5.92 -1.230500559e-06 5.94 -1.077243936e-06 5.96 -9.435571237e-07 5.98 -8.268793822e-07 6.00 -7.249931550e-07