# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2002--Mishin-Y-Mehl-M-J-Papaconstantopoulos-D-A--Ni-Al # implementation = EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005 # composition = AlNi2 # 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 nan 1.46 nan 1.48 nan 1.50 nan 1.52 nan 1.54 nan 1.56 nan 1.58 3.173091161e+01 1.60 2.690006955e+01 1.62 2.281501138e+01 1.64 1.935531861e+01 1.66 1.643808069e+01 1.68 1.398204591e+01 1.70 1.190151174e+01 1.72 1.011401332e+01 1.74 8.549459903e+00 1.76 7.157683889e+00 1.78 5.907597888e+00 1.80 4.779465844e+00 1.82 3.760688749e+00 1.84 2.843951181e+00 1.86 2.026219733e+00 1.88 1.305970735e+00 1.90 6.783643760e-01 1.92 1.327824057e-01 1.94 -3.457221492e-01 1.96 -7.731536056e-01 1.98 -1.163277874e+00 2.00 -1.524881054e+00 2.02 -1.861128940e+00 2.04 -2.171457653e+00 2.06 -2.453765671e+00 2.08 -2.706202337e+00 2.10 -2.928130554e+00 2.12 -3.120560106e+00 2.14 -3.286072490e+00 2.16 -3.428269068e+00 2.18 -3.551139803e+00 2.20 -3.658002193e+00 2.22 -3.750672963e+00 2.24 -3.829568619e+00 2.26 -3.894519969e+00 2.28 -3.945545244e+00 2.30 -3.983179817e+00 2.32 -4.008485751e+00 2.34 -4.022796992e+00 2.36 -4.027306176e+00 2.38 -4.023034249e+00 2.40 -4.010947863e+00 2.42 -3.992075603e+00 2.44 -3.967443888e+00 2.46 -3.937940713e+00 2.48 -3.904212898e+00 2.50 -3.866656806e+00 2.52 -3.825489361e+00 2.54 -3.780841347e+00 2.56 -3.732828371e+00 2.58 -3.681589645e+00 2.60 -3.627299603e+00 2.62 -3.570125160e+00 2.64 -3.510187576e+00 2.66 -3.447565768e+00 2.68 -3.382310299e+00 2.70 -3.314468799e+00 2.72 -3.244124658e+00 2.74 -3.171445078e+00 2.76 -3.096724884e+00 2.78 -3.020404201e+00 2.80 -2.943043242e+00 2.82 -2.865263264e+00 2.84 -2.787694051e+00 2.86 -2.710969134e+00 2.88 -2.635765007e+00 2.90 -2.562825059e+00 2.92 -2.492900781e+00 2.94 -2.426602075e+00 2.96 -2.364231368e+00 2.98 -2.305706876e+00 3.00 -2.250619815e+00 3.02 -2.198353129e+00 3.04 -2.148229943e+00 3.06 -2.099645687e+00 3.08 -2.052134323e+00 3.10 -2.005380571e+00 3.12 -1.959201593e+00 3.14 -1.913497676e+00 3.16 -1.868174323e+00 3.18 -1.823120637e+00 3.20 -1.778209555e+00 3.22 -1.733300280e+00 3.24 -1.688244072e+00 3.26 -1.642895144e+00 3.28 -1.597128689e+00 3.30 -1.550867690e+00 3.32 -1.504118464e+00 3.34 -1.457011236e+00 3.36 -1.409836228e+00 3.38 -1.363059450e+00 3.40 -1.317300094e+00 3.42 -1.273258627e+00 3.44 -1.231603569e+00 3.46 -1.192847881e+00 3.48 -1.157257333e+00 3.50 -1.124822142e+00 3.52 -1.095295053e+00 3.54 -1.068272636e+00 3.56 -1.043287007e+00 3.58 -1.019882671e+00 3.60 -9.976677614e-01 3.62 -9.763410919e-01 3.64 -9.557022543e-01 3.66 -9.356517191e-01 3.68 -9.161599497e-01 3.70 -8.972096461e-01 3.72 -8.787838671e-01 3.74 -8.608660064e-01 3.76 -8.434397968e-01 3.78 -8.264893182e-01 3.80 -8.099990010e-01 3.82 -7.939536258e-01 3.84 -7.783383260e-01 3.86 -7.631385836e-01 3.88 -7.483402273e-01 3.90 -7.339294259e-01 3.92 -7.198926830e-01 3.94 -7.062168288e-01 3.96 -6.928890100e-01 3.98 -6.798966782e-01 4.00 -6.672275782e-01 4.02 -6.548697337e-01 4.04 -6.428114299e-01 4.06 -6.310411965e-01 4.08 -6.195477884e-01 4.10 -6.083201614e-01 4.12 -5.973474494e-01 4.14 -5.866189365e-01 4.16 -5.761240260e-01 4.18 -5.658522067e-01 4.20 -5.557930157e-01 4.22 -5.459359954e-01 4.24 -5.362706474e-01 4.26 -5.267863798e-01 4.28 -5.174724501e-01 4.30 -5.083179000e-01 4.32 -4.993114859e-01 4.34 -4.904416016e-01 4.36 -4.816961943e-01 4.38 -4.730626783e-01 4.40 -4.645278407e-01 4.42 -4.560777523e-01 4.44 -4.476976806e-01 4.46 -4.393720176e-01 4.48 -4.310842316e-01 4.50 -4.228168614e-01 4.52 -4.145515746e-01 4.54 -4.062693197e-01 4.56 -3.979506091e-01 4.58 -3.895759792e-01 4.60 -3.811266805e-01 4.62 -3.725856411e-01 4.64 -3.639387508e-01 4.66 -3.551764683e-01 4.68 -3.462957128e-01 4.70 -3.373019108e-01 4.72 -3.282109664e-01 4.74 -3.190508038e-01 4.76 -3.098620322e-01 4.78 -3.006972768e-01 4.80 -2.916188131e-01 4.82 -2.826944281e-01 4.84 -2.739918170e-01 4.86 -2.655722547e-01 4.88 -2.574845762e-01 4.90 -2.497605329e-01 4.92 -2.424123158e-01 4.94 -2.354325369e-01 4.96 -2.287964192e-01 4.98 -2.224655349e-01 5.00 -2.163922688e-01 5.02 -2.105242481e-01 5.04 -2.048082015e-01 5.06 -1.991929735e-01 5.08 -1.936316504e-01 5.10 -1.880829098e-01 5.12 -1.825117826e-01 5.14 -1.768900340e-01 5.16 -1.711963443e-01 5.18 -1.654158330e-01 5.20 -1.595362007e-01 5.22 -1.535452354e-01 5.24 -1.474309926e-01 5.26 -1.411822334e-01 5.28 -1.347890055e-01 5.30 -1.282433874e-01 5.32 -1.215404158e-01 5.34 -1.146792023e-01 5.36 -1.076642269e-01 5.38 -1.005067671e-01 5.40 -9.322637949e-02 5.42 -8.585229697e-02 5.44 -7.842455243e-02 5.46 -7.099458140e-02 5.48 -6.362503303e-02 5.50 -5.638852710e-02 5.52 -4.936517588e-02 5.54 -4.263884005e-02 5.56 -3.629230347e-02 5.58 -3.040179634e-02 5.60 -2.503150368e-02 5.62 -2.022880044e-02 5.64 -1.602090497e-02 5.66 -1.241342829e-02 5.68 -9.390971600e-03 5.70 -6.919646676e-03 5.72 -4.950872294e-03 5.74 -3.425982004e-03 5.76 -2.280951526e-03 5.78 -1.450709533e-03 5.80 -8.726612884e-04 5.82 -4.894182517e-04 5.84 -2.504525132e-04 5.86 -1.129869818e-04 5.88 -4.233189679e-05 5.90 -1.171487323e-05 5.92 -1.801820918e-06 5.94 -5.157811502e-08 5.96 -1.426359031e-12 5.98 -1.426359031e-12 6.00 -1.426359031e-12