# 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 = CoW2 # 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 4.030420713e+02 1.16 3.688424370e+02 1.18 3.376335739e+02 1.20 3.091451449e+02 1.22 2.831256652e+02 1.24 2.593420061e+02 1.26 2.375819270e+02 1.28 2.176560508e+02 1.30 1.993960708e+02 1.32 1.826498512e+02 1.34 1.672769172e+02 1.36 1.531471130e+02 1.38 1.401422311e+02 1.40 1.281582841e+02 1.42 1.171060607e+02 1.44 1.069092577e+02 1.46 9.750135478e+01 1.48 8.882289688e+01 1.50 8.081991897e+01 1.52 7.344316591e+01 1.54 6.664758740e+01 1.56 6.039188016e+01 1.58 5.463795736e+01 1.60 4.935029945e+01 1.62 4.449528836e+01 1.64 4.004068227e+01 1.66 3.595534098e+01 1.68 3.220922823e+01 1.70 2.877362105e+01 1.72 2.562279215e+01 1.74 2.273214674e+01 1.76 2.007805177e+01 1.78 1.763908039e+01 1.80 1.539627257e+01 1.82 1.333409876e+01 1.84 1.143927322e+01 1.86 9.699954804e+00 1.88 8.106067678e+00 1.90 6.648823567e+00 1.92 5.320235323e+00 1.94 4.112695725e+00 1.96 3.018683413e+00 1.98 2.030621606e+00 2.00 1.140865461e+00 2.02 3.417523443e-01 2.04 -3.743544868e-01 2.06 -1.015055325e+00 2.08 -1.587908328e+00 2.10 -2.100378505e+00 2.12 -2.559710356e+00 2.14 -2.972731579e+00 2.16 -3.345629717e+00 2.18 -3.683760223e+00 2.20 -3.991537809e+00 2.22 -4.272436349e+00 2.24 -4.529088464e+00 2.26 -4.763281068e+00 2.28 -4.976395299e+00 2.30 -5.169980899e+00 2.32 -5.345293484e+00 2.34 -5.503409774e+00 2.36 -5.645311376e+00 2.38 -5.771929530e+00 2.40 -5.883875625e+00 2.42 -5.981011653e+00 2.44 -6.063307385e+00 2.46 -6.130930386e+00 2.48 -6.184174071e+00 2.50 -6.223407677e+00 2.52 -6.249044149e+00 2.54 -6.261521866e+00 2.56 -6.261294931e+00 2.58 -6.248825498e+00 2.60 -6.224572183e+00 2.62 -6.188972492e+00 2.64 -6.142423163e+00 2.66 -6.085266489e+00 2.68 -6.017789398e+00 2.70 -5.940253624e+00 2.72 -5.852922675e+00 2.74 -5.755976307e+00 2.76 -5.649622579e+00 2.78 -5.534121419e+00 2.80 -5.409796711e+00 2.82 -5.277048282e+00 2.84 -5.136366008e+00 2.86 -4.988346688e+00 2.88 -4.833687357e+00 2.90 -4.673168179e+00 2.92 -4.507731008e+00 2.94 -4.338490522e+00 2.96 -4.166718747e+00 2.98 -3.993811659e+00 3.00 -3.821237487e+00 3.02 -3.650469744e+00 3.04 -3.482911436e+00 3.06 -3.319819406e+00 3.08 -3.162238659e+00 3.10 -3.010955283e+00 3.12 -2.866473376e+00 3.14 -2.729017104e+00 3.16 -2.598554852e+00 3.18 -2.474839551e+00 3.20 -2.357458192e+00 3.22 -2.245884032e+00 3.24 -2.139526538e+00 3.26 -2.037775869e+00 3.28 -1.940040376e+00 3.30 -1.845776710e+00 3.32 -1.754512814e+00 3.34 -1.665864348e+00 3.36 -1.579545003e+00 3.38 -1.495371049e+00 3.40 -1.413260273e+00 3.42 -1.333225444e+00 3.44 -1.255362566e+00 3.46 -1.179834513e+00 3.48 -1.106851059e+00 3.50 -1.036646768e+00 3.52 -9.694585352e-01 3.54 -9.055046695e-01 3.56 -8.449672475e-01 3.58 -7.879790141e-01 3.60 -7.346155169e-01 3.62 -6.848924906e-01 3.64 -6.387679283e-01 3.66 -5.961478574e-01 3.68 -5.568946317e-01 3.70 -5.208365433e-01 3.72 -4.877777017e-01 3.74 -4.575073683e-01 3.76 -4.298081991e-01 3.78 -4.044631007e-01 3.80 -3.812606118e-01 3.82 -3.599988674e-01 3.84 -3.404882997e-01 3.86 -3.225532708e-01 3.88 -3.060328502e-01 3.90 -2.907809337e-01 3.92 -2.766658813e-01 3.94 -2.635698220e-01 3.96 -2.513877456e-01 3.98 -2.400264745e-01 4.00 -2.294035854e-01 4.02 -2.194463329e-01 4.04 -2.100906073e-01 4.06 -2.012799547e-01 4.08 -1.929646695e-01 4.10 -1.851008705e-01 4.12 -1.776498040e-01 4.14 -1.705775548e-01 4.16 -1.638540320e-01 4.18 -1.574524746e-01 4.20 -1.513490268e-01 4.22 -1.455223551e-01 4.24 -1.399533097e-01 4.26 -1.346246245e-01 4.28 -1.295206550e-01 4.30 -1.246271487e-01 4.32 -1.199310434e-01 4.34 -1.154202915e-01 4.36 -1.110837051e-01 4.38 -1.069108200e-01 4.40 -1.028917755e-01 4.42 -9.901720801e-02 4.44 -9.527815636e-02 4.46 -9.166597822e-02 4.48 -8.817227603e-02 4.50 -8.478883249e-02 4.52 -8.150755575e-02 4.54 -7.832043494e-02 4.56 -7.521950769e-02 4.58 -7.219684153e-02 4.60 -6.924453234e-02 4.62 -6.635472342e-02 4.64 -6.351964961e-02 4.66 -6.073171151e-02 4.68 -5.798358478e-02 4.70 -5.526836936e-02 4.72 -5.257978185e-02 4.74 -4.991239172e-02 4.76 -4.726189788e-02 4.78 -4.462543591e-02 4.80 -4.200189786e-02 4.82 -3.939224002e-02 4.84 -3.679974129e-02 4.86 -3.423017180e-02 4.88 -3.169182608e-02 4.90 -2.919538131e-02 4.92 -2.675355448e-02 4.94 -2.438055442e-02 4.96 -2.209113739e-02 4.98 -1.990006597e-02 5.00 -1.782141542e-02 5.02 -1.586740374e-02 5.04 -1.404768917e-02 5.06 -1.236888523e-02 5.08 -1.083433188e-02 5.10 -9.444124599e-03 5.12 -8.195369378e-03 5.14 -7.082608018e-03 5.16 -6.098346915e-03 5.18 -5.233623897e-03 5.20 -4.478557891e-03 5.22 -3.822841399e-03 5.24 -3.256152002e-03 5.26 -2.768473475e-03 5.28 -2.350328170e-03 5.30 -1.992929576e-03 5.32 -1.688267862e-03 5.34 -1.429142479e-03 5.36 -1.209155326e-03 5.38 -1.022676404e-03 5.40 -8.647918087e-04 5.42 -7.312417988e-04 5.44 -6.183546971e-04 5.46 -5.229807059e-04 5.48 -4.424283696e-04 5.50 -3.744053660e-04 5.52 -3.169645363e-04 5.54 -2.684555121e-04 5.56 -2.274819302e-04 5.58 -1.928639795e-04 5.60 -1.636058944e-04 5.62 -1.388679279e-04 5.64 -1.179423227e-04 5.66 -1.002327993e-04 5.68 -8.523711189e-05 5.70 -7.253225526e-05 5.72 -6.176194996e-05 5.74 -5.262607534e-05 5.76 -4.487175998e-05 5.78 -3.828587876e-05 5.80 -3.268873984e-05 5.82 -2.792877642e-05 5.84 -2.387808512e-05 5.86 -2.042867725e-05 5.88 -1.748932912e-05 5.90 -1.498293599e-05 5.92 -1.284428870e-05 5.94 -1.101820512e-05 5.96 -9.457959461e-06 5.98 -8.123961396e-06 6.00 -6.982644962e-06