# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = Cl2FId # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 7.363828090e+02 nan 1.28 6.953058654e+02 6.953058654e+02 1.30 6.568769754e+02 6.568769754e+02 1.32 6.208959402e+02 6.208959402e+02 1.34 5.871754926e+02 5.871754926e+02 1.36 5.555529163e+02 5.555529163e+02 1.38 5.258779294e+02 5.258779294e+02 1.40 4.979987811e+02 4.979987811e+02 1.42 4.717918893e+02 4.717918893e+02 1.44 4.471390013e+02 4.471390013e+02 1.46 4.239385523e+02 4.239385523e+02 1.48 4.020891033e+02 4.020891033e+02 1.50 3.814998722e+02 3.814998722e+02 1.52 3.620876161e+02 3.620876161e+02 1.54 3.437687850e+02 3.437687850e+02 1.56 3.264810131e+02 3.264810131e+02 1.58 3.101529815e+02 3.101529815e+02 1.60 2.947237583e+02 2.947237583e+02 1.62 2.801376357e+02 2.801376357e+02 1.64 2.663403786e+02 2.663403786e+02 1.66 2.532796464e+02 2.532796464e+02 1.68 2.409081628e+02 2.409081628e+02 1.70 2.291818414e+02 2.291818414e+02 1.72 2.180626090e+02 2.180626090e+02 1.74 2.075144541e+02 2.075144541e+02 1.76 1.975042700e+02 1.975042700e+02 1.78 1.880019645e+02 1.880019645e+02 1.80 1.789788635e+02 1.789788635e+02 1.82 1.704073197e+02 1.704073197e+02 1.84 1.622658741e+02 1.622658741e+02 1.86 1.545292585e+02 1.545292585e+02 1.88 1.471822537e+02 1.471822537e+02 1.90 1.402045886e+02 1.402045886e+02 1.92 1.335764049e+02 1.335764049e+02 1.94 1.272815499e+02 1.272815499e+02 1.96 1.213035574e+02 1.213035574e+02 1.98 1.156257471e+02 1.156257471e+02 2.00 1.102317594e+02 1.102317594e+02 2.02 1.051050677e+02 1.051050677e+02 2.04 1.002302158e+02 1.002302158e+02 2.06 9.559319554e+01 9.559319554e+01 2.08 9.118239088e+01 9.118239088e+01 2.10 8.698405252e+01 8.698405252e+01 2.12 8.298488816e+01 8.298488816e+01 2.14 7.917464462e+01 7.917464462e+01 2.16 7.554266830e+01 7.554266830e+01 2.18 7.207881042e+01 7.207881042e+01 2.20 6.877355443e+01 6.877355443e+01 2.22 6.561807908e+01 6.561807908e+01 2.24 6.260421170e+01 6.260421170e+01 2.26 5.972420295e+01 5.972420295e+01 2.28 5.697129707e+01 5.697129707e+01 2.30 5.433905381e+01 5.433905381e+01 2.32 5.182111112e+01 5.182111112e+01 2.34 4.940987398e+01 4.940987398e+01 2.36 4.710373296e+01 4.710373296e+01 2.38 4.489794981e+01 4.489794981e+01 2.40 4.278798413e+01 4.278798413e+01 2.42 4.076969366e+01 4.076969366e+01 2.44 3.883927649e+01 3.883927649e+01 2.46 3.699321823e+01 3.699321823e+01 2.48 3.522824480e+01 3.522824480e+01 2.50 3.354121785e+01 3.354121785e+01 2.52 3.192830474e+01 3.192830474e+01 2.54 3.038804421e+01 3.038804421e+01 2.56 2.891639874e+01 2.891639874e+01 2.58 2.751213550e+01 2.751213550e+01 2.60 2.617206871e+01 2.617206871e+01 2.62 2.489439294e+01 2.489439294e+01 2.64 2.367687866e+01 2.367687866e+01 2.66 2.251695553e+01 2.251695553e+01 2.68 2.141211390e+01 2.141211390e+01 2.70 2.035990383e+01 2.035990383e+01 2.72 1.935792876e+01 1.935792876e+01 2.74 1.840384361e+01 1.840384361e+01 2.76 1.749535663e+01 1.749535663e+01 2.78 1.662923455e+01 1.662923455e+01 2.80 1.580460714e+01 1.580460714e+01 2.82 1.501931432e+01 1.501931432e+01 2.84 1.427126535e+01 1.427126535e+01 2.86 1.355818458e+01 1.355818458e+01 2.88 1.287848540e+01 1.287848540e+01 2.90 1.223044878e+01 1.223044878e+01 2.92 1.161236692e+01 1.161236692e+01 2.94 1.102263725e+01 1.102263725e+01 2.96 1.045975871e+01 1.045975871e+01 2.98 9.922327046e+00 9.922327046e+00 3.00 9.409029568e+00 9.409029568e+00 3.02 8.918639504e+00 8.918639504e+00 3.04 8.450010240e+00 8.450010240e+00 3.06 8.002069647e+00 8.002069647e+00 3.08 7.573814648e+00 7.573814648e+00 3.10 7.164306134e+00 7.164306134e+00 3.12 6.772664276e+00 6.772664276e+00 3.14 6.398064228e+00 6.398064228e+00 3.16 6.039732181e+00 6.039732181e+00 3.18 5.696906243e+00 5.696906243e+00 3.20 5.368906139e+00 5.368906139e+00 3.22 5.055143934e+00 5.055143934e+00 3.24 4.755010149e+00 4.755010149e+00 3.26 4.467930529e+00 4.467930529e+00 3.28 4.193362719e+00 4.193362719e+00 3.30 3.929776655e+00 3.929776655e+00 3.32 3.677712312e+00 3.677712312e+00 3.34 3.436893033e+00 3.436893033e+00 3.36 3.206777112e+00 3.206777112e+00 3.38 2.987039515e+00 2.987039515e+00 3.40 2.777219502e+00 2.777219502e+00 3.42 2.576879522e+00 2.576879522e+00 3.44 2.385602433e+00 2.385602433e+00 3.46 2.202989285e+00 2.202989285e+00 3.48 2.028657655e+00 2.028657655e+00 3.50 1.862240490e+00 1.862240490e+00 3.52 1.703385378e+00 1.703385378e+00 3.54 1.551754164e+00 1.551754164e+00 3.56 1.407022818e+00 1.407022818e+00 3.58 1.268881460e+00 1.268881460e+00 3.60 1.137034442e+00 1.137034442e+00 3.62 1.011200434e+00 1.011200434e+00 3.64 8.905991538e-01 8.905991538e-01 3.66 7.753248367e-01 7.753248367e-01 3.68 6.654800369e-01 6.654800369e-01 3.70 5.606788365e-01 5.606788365e-01 3.72 4.608310208e-01 4.608310208e-01 3.74 3.657081728e-01 3.657081728e-01 3.76 2.750986490e-01 2.750986490e-01 3.78 1.888064292e-01 1.888064292e-01 3.80 1.066495520e-01 1.066495520e-01 3.82 2.845864202e-02 2.845864202e-02 3.84 -4.592444437e-02 -4.592444437e-02 3.86 -1.166478371e-01 -1.166478371e-01 3.88 -1.838507237e-01 -1.838507237e-01 3.90 -2.476642739e-01 -2.476642739e-01 3.92 -3.082124218e-01 -3.082124218e-01 3.94 -3.656125167e-01 -3.656125167e-01 3.96 -4.199758587e-01 -4.199758587e-01 3.98 -4.714081342e-01 -4.714081342e-01 4.00 -5.200097726e-01 -5.200097726e-01 4.02 -5.658762406e-01 -5.658762406e-01 4.04 -6.095596661e-01 -6.095596661e-01 4.06 -6.506452757e-01 -6.506452757e-01 4.08 -6.891565136e-01 -6.891565136e-01 4.10 -7.251897264e-01 -7.251897264e-01 4.12 -7.588344583e-01 -7.588344583e-01 4.14 -7.901740031e-01 -7.901740031e-01 4.16 -8.192859567e-01 -8.192859567e-01 4.18 -8.462427643e-01 -8.462427643e-01 4.20 -8.711122558e-01 -8.711122558e-01 4.22 -8.939581651e-01 -8.939581651e-01 4.24 -9.148406292e-01 -9.148406292e-01 4.26 -9.338166640e-01 -9.338166640e-01 4.28 -9.509406150e-01 -9.509406150e-01 4.30 -9.662645814e-01 -9.662645814e-01 4.32 -9.798388126e-01 -9.798388126e-01 4.34 -9.917120778e-01 -9.917120778e-01 4.36 -1.001932007e+00 -1.001932007e+00 4.38 -1.010545408e+00 -1.010545408e+00 4.40 -1.017598550e+00 -1.017598550e+00 4.42 -1.023137433e+00 -1.023137433e+00 4.44 -1.027208015e+00 -1.027208015e+00 4.46 -1.029856431e+00 -1.029856431e+00 4.48 -1.031129170e+00 -1.031129170e+00 4.50 -1.031159945e+00 -1.031159945e+00 4.52 -1.029921557e+00 -1.029921557e+00 4.54 -1.027428795e+00 -1.027428795e+00 4.56 -1.023734682e+00 -1.023734682e+00 4.58 -1.018892557e+00 -1.018892557e+00 4.60 -1.012956160e+00 -1.012956160e+00 4.62 -1.005979678e+00 -1.005979678e+00 4.64 -9.980177657e-01 -9.980177657e-01 4.66 -9.891255275e-01 -9.891255275e-01 4.68 -9.793584643e-01 -9.793584643e-01 4.70 -9.687723925e-01 -9.687723925e-01 4.72 -9.574233301e-01 -9.574233301e-01 4.74 -9.453673557e-01 -9.453673557e-01 4.76 -9.326604422e-01 -9.326604422e-01 4.78 -9.193582692e-01 -9.193582692e-01 4.80 -9.055160180e-01 -9.055160180e-01 4.82 -8.911881532e-01 -8.911881532e-01 4.84 -8.764281959e-01 -8.764281959e-01 4.86 -8.612884929e-01 -8.612884929e-01 4.88 -8.458199872e-01 -8.458199872e-01 4.90 -8.300719935e-01 -8.300719935e-01 4.92 -8.140919847e-01 -8.140919847e-01 4.94 -7.979253921e-01 -7.979253921e-01 4.96 -7.816154240e-01 -7.816154240e-01 4.98 -7.652029064e-01 -7.652029064e-01 5.00 -7.487261478e-01 -7.487261478e-01 5.02 -7.322208310e-01 -7.322208310e-01 5.04 -7.157199332e-01 -7.157199332e-01 5.06 -6.992536757e-01 -6.992536757e-01 5.08 -6.828495036e-01 -6.828495036e-01 5.10 -6.665320948e-01 -6.665320948e-01 5.12 -6.503233977e-01 -6.503233977e-01 5.14 -6.342426969e-01 -6.342426969e-01 5.16 -6.183067030e-01 -6.183067030e-01 5.18 -6.025296670e-01 -6.025296670e-01 5.20 -5.869235146e-01 -5.869235146e-01 5.22 -5.714979973e-01 -5.714979973e-01 5.24 -5.562608596e-01 -5.562608596e-01 5.26 -5.412180159e-01 -5.412180159e-01 5.28 -5.263737362e-01 -5.263737362e-01 5.30 -5.117308369e-01 -5.117308369e-01 5.32 -4.972908724e-01 -4.972908724e-01 5.34 -4.830543272e-01 -4.830543272e-01 5.36 -4.690208023e-01 -4.690208023e-01 5.38 -4.551891973e-01 -4.551891973e-01 5.40 -4.415578824e-01 -4.415578824e-01 5.42 -4.281248621e-01 -4.281248621e-01 5.44 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