# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Tehranchi-A-Curtin-W-A--Ni-H # implementation = EAM_Dynamo_TehranchiCurtin_2010_NiH__MO_535504325462_003 # composition = H2Ni # 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 2024-11-27 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 1.981135630e+01 1.18 1.658039939e+01 1.20 1.378871019e+01 1.22 1.137877242e+01 1.24 9.299468758e+00 1.26 7.503380232e+00 1.28 5.945255405e+00 1.30 4.589440671e+00 1.32 3.413016794e+00 1.34 2.399942226e+00 1.36 1.535018099e+00 1.38 8.012747616e-01 1.40 1.781583269e-01 1.42 -3.543536484e-01 1.44 -8.103391257e-01 1.46 -1.198862505e+00 1.48 -1.526456749e+00 1.50 -1.798870281e+00 1.52 -2.022309387e+00 1.54 -2.203254527e+00 1.56 -2.348308690e+00 1.58 -2.462791421e+00 1.60 -2.551758072e+00 1.62 -2.620571585e+00 1.64 -2.673560146e+00 1.66 -2.714295610e+00 1.68 -2.745100926e+00 1.70 -2.766019603e+00 1.72 -2.775922242e+00 1.74 -2.774719138e+00 1.76 -2.762946695e+00 1.78 -2.742803698e+00 1.80 -2.718025898e+00 1.82 -2.690417572e+00 1.84 -2.660692618e+00 1.86 -2.629356671e+00 1.88 -2.596748963e+00 1.90 -2.563251430e+00 1.92 -2.529520534e+00 1.94 -2.496078004e+00 1.96 -2.463185639e+00 1.98 -2.431030180e+00 2.00 -2.399744051e+00 2.02 -2.369376252e+00 2.04 -2.339827850e+00 2.06 -2.310758107e+00 2.08 -2.281556557e+00 2.10 -2.251737353e+00 2.12 -2.221573083e+00 2.14 -2.191712690e+00 2.16 -2.162335542e+00 2.18 -2.133384486e+00 2.20 -2.104796938e+00 2.22 -2.076518373e+00 2.24 -2.048512809e+00 2.26 -2.020769261e+00 2.28 -1.993308536e+00 2.30 -1.966197590e+00 2.32 -1.939541117e+00 2.34 -1.913471334e+00 2.36 -1.888120496e+00 2.38 -1.863586934e+00 2.40 -1.839945098e+00 2.42 -1.817254974e+00 2.44 -1.795554217e+00 2.46 -1.774843547e+00 2.48 -1.755102801e+00 2.50 -1.736349251e+00 2.52 -1.718623007e+00 2.54 -1.701843071e+00 2.56 -1.685812316e+00 2.58 -1.670282078e+00 2.60 -1.655003060e+00 2.62 -1.639775980e+00 2.64 -1.624488641e+00 2.66 -1.609102550e+00 2.68 -1.593607684e+00 2.70 -1.577992517e+00 2.72 -1.561990981e+00 2.74 -1.546175829e+00 2.76 -1.532390683e+00 2.78 -1.517001509e+00 2.80 -1.495800734e+00 2.82 -1.470278307e+00 2.84 -1.445464954e+00 2.86 -1.423826479e+00 2.88 -1.405817829e+00 2.90 -1.390871109e+00 2.92 -1.377978726e+00 2.94 -1.365995137e+00 2.96 -1.354011109e+00 2.98 -1.341682142e+00 3.00 -1.328980989e+00 3.02 -1.315915144e+00 3.04 -1.302492346e+00 3.06 -1.288720248e+00 3.08 -1.274606565e+00 3.10 -1.260159148e+00 3.12 -1.245385994e+00 3.14 -1.230295008e+00 3.16 -1.214894327e+00 3.18 -1.199192358e+00 3.20 -1.183197706e+00 3.22 -1.166919121e+00 3.24 -1.150365675e+00 3.26 -1.133546698e+00 3.28 -1.116471767e+00 3.30 -1.099150756e+00 3.32 -1.081593688e+00 3.34 -1.063811018e+00 3.36 -1.045813369e+00 3.38 -1.027611772e+00 3.40 -1.009217334e+00 3.42 -9.906415238e-01 3.44 -9.718959218e-01 3.46 -9.529924494e-01 3.48 -9.339432257e-01 3.50 -9.147606478e-01 3.52 -8.954570404e-01 3.54 -8.760451442e-01 3.56 -8.565375328e-01 3.58 -8.369472786e-01 3.60 -8.172871351e-01 3.62 -7.975702426e-01 3.64 -7.778096484e-01 3.66 -7.580183447e-01 3.68 -7.382097025e-01 3.70 -7.183965177e-01 3.72 -6.985919311e-01 3.74 -6.788090382e-01 3.76 -6.590604620e-01 3.78 -6.393592954e-01 3.80 -6.197182663e-01 3.82 -6.001496508e-01 3.84 -5.806661955e-01 3.86 -5.612802903e-01 3.88 -5.420036727e-01 3.90 -5.228485649e-01 3.92 -5.038272219e-01 3.94 -4.849507199e-01 3.96 -4.662305379e-01 3.98 -4.476785651e-01 4.00 -4.293060932e-01 4.02 -4.111233996e-01 4.04 -3.931417067e-01 4.06 -3.753726333e-01 4.08 -3.578272043e-01 4.10 -3.405147120e-01 4.12 -3.234463737e-01 4.14 -3.066340075e-01 4.16 -2.900899212e-01 4.18 -2.738225076e-01 4.20 -2.578410359e-01 4.22 -2.421601950e-01 4.24 -2.267951461e-01 4.26 -2.117615736e-01 4.28 -1.970771756e-01 4.30 -1.827692725e-01 4.32 -1.688390770e-01 4.34 -1.552861434e-01 4.36 -1.421157109e-01 4.38 -1.293383635e-01 4.40 -1.169697318e-01 4.42 -1.050297588e-01 4.44 -9.349039175e-02 4.46 -8.239115755e-02 4.48 -7.181763344e-02 4.50 -6.184237747e-02 4.52 -5.252641756e-02 4.54 -4.392047907e-02 4.56 -3.606590002e-02 4.58 -2.899515539e-02 4.60 -2.273188220e-02 4.62 -1.729026729e-02 4.64 -1.267363749e-02 4.66 -8.872117764e-03 4.68 -5.859321316e-03 4.70 -3.588323743e-03 4.72 -1.987698717e-03 4.74 -9.592540269e-04 4.76 -3.800596959e-04 4.78 -1.119101200e-04 4.80 -2.047182508e-05 4.82 -1.627145524e-06 4.84 -2.447375702e-08 4.86 -3.552795300e-12 4.88 -5.757963668e-16 4.90 -1.240854633e-30 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 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