# 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 = CoTi2 # 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 2.590981840e+02 1.16 2.382383581e+02 1.18 2.190929815e+02 1.20 2.015081771e+02 1.22 1.853458990e+02 1.24 1.704823303e+02 1.26 1.568069729e+02 1.28 1.442210167e+02 1.30 1.326345600e+02 1.32 1.219642118e+02 1.34 1.121323083e+02 1.36 1.030673679e+02 1.38 9.470461107e+01 1.40 8.698582189e+01 1.42 7.985861159e+01 1.44 7.327563692e+01 1.46 6.719402905e+01 1.48 6.157486959e+01 1.50 5.638263034e+01 1.52 5.158459095e+01 1.54 4.715040166e+01 1.56 4.305196699e+01 1.58 3.926345938e+01 1.60 3.576119347e+01 1.62 3.252339359e+01 1.64 2.953030590e+01 1.66 2.676370530e+01 1.68 2.420646410e+01 1.70 2.184318830e+01 1.72 1.965888209e+01 1.74 1.763982433e+01 1.76 1.577356341e+01 1.78 1.404875081e+01 1.80 1.245500570e+01 1.82 1.098285063e+01 1.84 9.623658618e+00 1.86 8.369563266e+00 1.88 7.213335008e+00 1.90 6.148253706e+00 1.92 5.167997846e+00 1.94 4.266564682e+00 1.96 3.438234974e+00 1.98 2.677582411e+00 2.00 1.979502986e+00 2.02 1.339231117e+00 2.04 7.523313485e-01 2.06 2.146845497e-01 2.08 -2.775065672e-01 2.10 -7.276941324e-01 2.12 -1.138974590e+00 2.14 -1.514115397e+00 2.16 -1.855614725e+00 2.18 -2.165772576e+00 2.20 -2.446754651e+00 2.22 -2.700641896e+00 2.24 -2.929459445e+00 2.26 -3.135178973e+00 2.28 -3.319694521e+00 2.30 -3.484782216e+00 2.32 -3.632064846e+00 2.34 -3.762992871e+00 2.36 -3.878846638e+00 2.38 -3.980754155e+00 2.40 -4.069717948e+00 2.42 -4.146664545e+00 2.44 -4.212581280e+00 2.46 -4.268120919e+00 2.48 -4.313875672e+00 2.50 -4.350457285e+00 2.52 -4.378493387e+00 2.54 -4.398622239e+00 2.56 -4.411529276e+00 2.58 -4.417739515e+00 2.60 -4.417438857e+00 2.62 -4.410817987e+00 2.64 -4.398124033e+00 2.66 -4.379634067e+00 2.68 -4.355637576e+00 2.70 -4.326427608e+00 2.72 -4.292297345e+00 2.74 -4.253505712e+00 2.76 -4.210276808e+00 2.78 -4.162850511e+00 2.80 -4.111483322e+00 2.82 -4.056445599e+00 2.84 -3.998020811e+00 2.86 -3.936505115e+00 2.88 -3.872206889e+00 2.90 -3.805444904e+00 2.92 -3.736544531e+00 2.94 -3.665832618e+00 2.96 -3.593632774e+00 2.98 -3.520262726e+00 3.00 -3.446033877e+00 3.02 -3.371251156e+00 3.04 -3.296210212e+00 3.06 -3.221190948e+00 3.08 -3.146446235e+00 3.10 -3.072191829e+00 3.12 -2.998599042e+00 3.14 -2.925793736e+00 3.16 -2.853860578e+00 3.18 -2.782851641e+00 3.20 -2.712795839e+00 3.22 -2.643707436e+00 3.24 -2.575592459e+00 3.26 -2.508452819e+00 3.28 -2.442288527e+00 3.30 -2.377098605e+00 3.32 -2.312881313e+00 3.34 -2.249634191e+00 3.36 -2.187354327e+00 3.38 -2.126039127e+00 3.40 -2.065687716e+00 3.42 -2.006303302e+00 3.44 -1.947895727e+00 3.46 -1.890484801e+00 3.48 -1.834103149e+00 3.50 -1.778798043e+00 3.52 -1.724631287e+00 3.54 -1.671676419e+00 3.56 -1.620013030e+00 3.58 -1.569718764e+00 3.60 -1.520860377e+00 3.62 -1.473485677e+00 3.64 -1.427618043e+00 3.66 -1.383254521e+00 3.68 -1.340367548e+00 3.70 -1.298909474e+00 3.72 -1.258818621e+00 3.74 -1.220025625e+00 3.76 -1.182459067e+00 3.78 -1.146049870e+00 3.80 -1.110734277e+00 3.82 -1.076455507e+00 3.84 -1.043164339e+00 3.86 -1.010818905e+00 3.88 -9.793839666e-01 3.90 -9.488299191e-01 3.92 -9.191316267e-01 3.94 -8.902676407e-01 3.96 -8.622187905e-01 3.98 -8.349676926e-01 4.00 -8.084980190e-01 4.02 -7.827940066e-01 4.04 -7.578401055e-01 4.06 -7.336207421e-01 4.08 -7.101201736e-01 4.10 -6.873223363e-01 4.12 -6.652111350e-01 4.14 -6.437699495e-01 4.16 -6.229820151e-01 4.18 -6.028303701e-01 4.20 -5.832979037e-01 4.22 -5.643674062e-01 4.24 -5.460216201e-01 4.26 -5.282432884e-01 4.28 -5.110152002e-01 4.30 -4.943202315e-01 4.32 -4.781413804e-01 4.34 -4.624617948e-01 4.36 -4.472647905e-01 4.38 -4.325338600e-01 4.40 -4.182526692e-01 4.42 -4.044050423e-01 4.44 -3.909749360e-01 4.46 -3.779464030e-01 4.48 -3.653035482e-01 4.50 -3.530304795e-01 4.52 -3.411112580e-01 4.54 -3.295298502e-01 4.56 -3.182700882e-01 4.58 -3.073156425e-01 4.60 -2.966500120e-01 4.62 -2.862565395e-01 4.64 -2.761184577e-01 4.66 -2.662189757e-01 4.68 -2.565414116e-01 4.70 -2.470693835e-01 4.72 -2.377870636e-01 4.74 -2.286795031e-01 4.76 -2.197330306e-01 4.78 -2.109357181e-01 4.80 -2.022777930e-01 4.82 -1.937526526e-01 4.84 -1.853566905e-01 4.86 -1.770902931e-01 4.88 -1.689580804e-01 4.90 -1.609690947e-01 4.92 -1.531367394e-01 4.94 -1.454784192e-01 4.96 -1.380148581e-01 4.98 -1.307691075e-01 5.00 -1.237652991e-01 5.02 -1.170272348e-01 5.04 -1.105769359e-01 5.06 -1.044332833e-01 5.08 -9.861088228e-02 5.10 -9.311924927e-02 5.12 -8.796238005e-02 5.14 -8.313856978e-02 5.16 -7.864047509e-02 5.18 -7.445707993e-02 5.20 -7.057349538e-02 5.22 -6.697177674e-02 5.24 -6.363190379e-02 5.26 -6.053268764e-02 5.28 -5.765255521e-02 5.30 -5.497018592e-02 5.32 -5.246499552e-02 5.34 -5.011747645e-02 5.36 -4.790941346e-02 5.38 -4.582399770e-02 5.40 -4.384586352e-02 5.42 -4.196107055e-02 5.44 -4.015705121e-02 5.46 -3.842253989e-02 5.48 -3.674749705e-02 5.50 -3.512303800e-02 5.52 -3.354137315e-02 5.54 -3.199576405e-02 5.56 -3.048049707e-02 5.58 -2.899087430e-02 5.60 -2.752321927e-02 5.62 -2.607489281e-02 5.64 -2.464431266e-02 5.66 -2.323096836e-02 5.68 -2.183542220e-02 5.70 -2.045928603e-02 5.72 -1.910516473e-02 5.74 -1.777655898e-02 5.76 -1.647772317e-02 5.78 -1.521347936e-02 5.80 -1.398899245e-02 5.82 -1.280951898e-02 5.84 -1.168014507e-02 5.86 -1.060553203e-02 5.88 -9.589688705e-03 5.90 -8.635787586e-03 5.92 -7.745989438e-03 5.94 -6.921361315e-03 5.96 -6.162128469e-03 5.98 -5.467522333e-03 6.00 -4.835868100e-03