# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1995--Angelo-J-E-Moody-N-R-Baskes-M-I--Ni-Al-H # implementation = EAM_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005 # composition = Al2H # 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 2022-05-24 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 nan 1.16 nan 1.18 nan 1.20 nan 1.22 nan 1.24 nan 1.26 nan 1.28 nan 1.30 nan 1.32 nan 1.34 nan 1.36 nan 1.38 nan 1.40 nan 1.42 nan 1.44 1.702237004e+01 1.46 1.526931711e+01 1.48 1.367189930e+01 1.50 1.221174711e+01 1.52 1.087627102e+01 1.54 9.657659998e+00 1.56 8.543697959e+00 1.58 7.521692045e+00 1.60 6.584125069e+00 1.62 5.728464039e+00 1.64 4.947643961e+00 1.66 4.233002882e+00 1.68 3.577616841e+00 1.70 2.977104020e+00 1.72 2.428783311e+00 1.74 1.928603315e+00 1.76 1.472174344e+00 1.78 1.055506458e+00 1.80 6.749930790e-01 1.82 3.273739289e-01 1.84 9.694905184e-03 1.86 -2.806748281e-01 1.88 -5.459157329e-01 1.90 -7.878530515e-01 1.92 -1.008332938e+00 1.94 -1.209830544e+00 1.96 -1.395424464e+00 1.98 -1.566220933e+00 2.00 -1.722618763e+00 2.02 -1.865889267e+00 2.04 -1.997339807e+00 2.06 -2.118269435e+00 2.08 -2.229932518e+00 2.10 -2.333378112e+00 2.12 -2.429051283e+00 2.14 -2.516218410e+00 2.16 -2.593360082e+00 2.18 -2.660675080e+00 2.20 -2.719450290e+00 2.22 -2.770280873e+00 2.24 -2.813623259e+00 2.26 -2.849899907e+00 2.28 -2.879507507e+00 2.30 -2.902810068e+00 2.32 -2.920120416e+00 2.34 -2.931659834e+00 2.36 -2.937477170e+00 2.38 -2.937314436e+00 2.40 -2.930490790e+00 2.42 -2.916121553e+00 2.44 -2.893777865e+00 2.46 -2.863899886e+00 2.48 -2.828218630e+00 2.50 -2.789432672e+00 2.52 -2.749256969e+00 2.54 -2.708215478e+00 2.56 -2.666676678e+00 2.58 -2.624994272e+00 2.60 -2.583498660e+00 2.62 -2.542484835e+00 2.64 -2.502197424e+00 2.66 -2.462818867e+00 2.68 -2.424463939e+00 2.70 -2.387186751e+00 2.72 -2.350989082e+00 2.74 -2.315790296e+00 2.76 -2.281331023e+00 2.78 -2.247148531e+00 2.80 -2.212858864e+00 2.82 -2.178381935e+00 2.84 -2.143738335e+00 2.86 -2.108943684e+00 2.88 -2.074003778e+00 2.90 -2.038911421e+00 2.92 -2.003644332e+00 2.94 -1.968167486e+00 2.96 -1.932438838e+00 2.98 -1.896416583e+00 3.00 -1.860071766e+00 3.02 -1.823409681e+00 3.04 -1.786500870e+00 3.06 -1.749513422e+00 3.08 -1.712704106e+00 3.10 -1.676316436e+00 3.12 -1.640498486e+00 3.14 -1.605306417e+00 3.16 -1.570796211e+00 3.18 -1.537034357e+00 3.20 -1.504100585e+00 3.22 -1.472088753e+00 3.24 -1.441107707e+00 3.26 -1.411278823e+00 3.28 -1.382729414e+00 3.30 -1.355578904e+00 3.32 -1.329911649e+00 3.34 -1.305733546e+00 3.36 -1.282913052e+00 3.38 -1.261135380e+00 3.40 -1.239942587e+00 3.42 -1.218936790e+00 3.44 -1.197967287e+00 3.46 -1.177024022e+00 3.48 -1.156111963e+00 3.50 -1.135235945e+00 3.52 -1.114401886e+00 3.54 -1.093615467e+00 3.56 -1.072882296e+00 3.58 -1.052209335e+00 3.60 -1.031602967e+00 3.62 -1.011069252e+00 3.64 -9.906158432e-01 3.66 -9.702499858e-01 3.68 -9.499781637e-01 3.70 -9.298071042e-01 3.72 -9.097454923e-01 3.74 -8.898006228e-01 3.76 -8.699790825e-01 3.78 -8.502870273e-01 3.80 -8.307323833e-01 3.82 -8.113235381e-01 3.84 -7.920678658e-01 3.86 -7.729719941e-01 3.88 -7.540410739e-01 3.90 -7.351375982e-01 3.92 -7.162807150e-01 3.94 -6.976201602e-01 3.96 -6.792722306e-01 3.98 -6.613252523e-01 4.00 -6.438437311e-01 4.02 -6.268845975e-01 4.04 -6.105810409e-01 4.06 -5.946970292e-01 4.08 -5.789566536e-01 4.10 -5.631515036e-01 4.12 -5.471302163e-01 4.14 -5.307885791e-01 4.16 -5.140614026e-01 4.18 -4.969158047e-01 4.20 -4.793446473e-01 4.22 -4.613599841e-01 4.24 -4.430333921e-01 4.26 -4.245329754e-01 4.28 -4.060080456e-01 4.30 -3.875815136e-01 4.32 -3.693538033e-01 4.34 -3.514060664e-01 4.36 -3.338040424e-01 4.38 -3.166007292e-01 4.40 -2.998385107e-01 4.42 -2.835508333e-01 4.44 -2.677649065e-01 4.46 -2.525030723e-01 4.48 -2.377841296e-01 4.50 -2.236238178e-01 4.52 -2.100363818e-01 4.54 -1.970359976e-01 4.56 -1.846369952e-01 4.58 -1.728542382e-01 4.60 -1.617029385e-01 4.62 -1.511967264e-01 4.64 -1.413504265e-01 4.66 -1.321768595e-01 4.68 -1.236834094e-01 4.70 -1.158677450e-01 4.72 -1.087121117e-01 4.74 -1.021768981e-01 4.76 -9.619829625e-02 4.78 -9.067911289e-02 4.80 -8.550399564e-02 4.82 -8.056892103e-02 4.84 -7.581028536e-02 4.86 -7.120670139e-02 4.88 -6.675359949e-02 4.90 -6.244852925e-02 4.92 -5.828942301e-02 4.94 -5.427452335e-02 4.96 -5.039348562e-02 4.98 -4.663848195e-02 5.00 -4.301738991e-02 5.02 -3.953634050e-02 5.04 -3.619988459e-02 5.06 -3.301125976e-02 5.08 -2.997262608e-02 5.10 -2.708527444e-02 5.12 -2.434980986e-02 5.14 -2.176631268e-02 5.16 -1.933447890e-02 5.18 -1.705374133e-02 5.20 -1.492337179e-02 5.22 -1.294256400e-02 5.24 -1.111049566e-02 5.26 -9.426366655e-03 5.28 -7.889408484e-03 5.30 -6.498857596e-03 5.32 -5.253882295e-03 5.34 -4.153449468e-03 5.36 -3.196113398e-03 5.38 -2.379706602e-03 5.40 -1.700911567e-03 5.42 -1.154701540e-03 5.44 -7.336588015e-04 5.46 -4.272355071e-04 5.48 -2.211175173e-04 5.50 -9.702131346e-05 5.52 -3.344208961e-05 5.54 -7.938194821e-06 5.56 -1.011961395e-06 5.58 -4.058737047e-08 5.60 -1.381869717e-10 5.62 -4.825570770e-14 5.64 -5.176245976e-23 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00