# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = CuNi2Pd # 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 4.320117068e+02 4.320117068e+02 0.98 3.954173781e+02 3.954173781e+02 1.00 3.622368415e+02 3.622368415e+02 1.02 3.320964977e+02 3.320964977e+02 1.04 3.046810093e+02 3.046810093e+02 1.06 2.797107849e+02 2.797107849e+02 1.08 2.569350039e+02 2.569350039e+02 1.10 2.361350176e+02 2.361350176e+02 1.12 2.171149726e+02 2.171149726e+02 1.14 1.996986985e+02 1.996986985e+02 1.16 1.837418903e+02 1.837418903e+02 1.18 1.691076759e+02 1.691076759e+02 1.20 1.556779203e+02 1.556779203e+02 1.22 1.433375804e+02 1.433375804e+02 1.24 1.319968005e+02 1.319968005e+02 1.26 1.215660386e+02 1.215660386e+02 1.28 1.119649499e+02 1.119649499e+02 1.30 1.031228567e+02 1.031228567e+02 1.32 9.497507355e+01 9.497507355e+01 1.34 8.746330250e+01 8.746330250e+01 1.36 8.053701857e+01 8.053701857e+01 1.38 7.414716932e+01 7.414716932e+01 1.40 6.824827171e+01 6.824827171e+01 1.42 6.280063113e+01 6.280063113e+01 1.44 5.777091414e+01 5.777091414e+01 1.46 5.312431259e+01 5.312431259e+01 1.48 4.883047850e+01 4.883047850e+01 1.50 4.486356430e+01 4.486356430e+01 1.52 4.119856325e+01 4.119856325e+01 1.54 3.781137781e+01 3.781137781e+01 1.56 3.468060925e+01 3.468060925e+01 1.58 3.178693671e+01 3.178693671e+01 1.60 2.911325860e+01 2.911325860e+01 1.62 2.664192121e+01 2.664192121e+01 1.64 2.435871699e+01 2.435871699e+01 1.66 2.224853582e+01 2.224853582e+01 1.68 2.029863645e+01 2.029863645e+01 1.70 1.849783019e+01 1.849783019e+01 1.72 1.683360186e+01 1.683360186e+01 1.74 1.529780413e+01 1.529780413e+01 1.76 1.388034856e+01 1.388034856e+01 1.78 1.252870579e+01 1.252870579e+01 1.80 1.127472000e+01 1.127472000e+01 1.82 1.010150304e+01 1.010150304e+01 1.84 8.992958767e+00 8.992958767e+00 1.86 7.947118193e+00 7.947118193e+00 1.88 6.960565063e+00 6.960565063e+00 1.90 6.033096024e+00 6.033096024e+00 1.92 5.162256263e+00 5.162256263e+00 1.94 4.346062476e+00 4.346062476e+00 1.96 3.582608336e+00 3.582608336e+00 1.98 2.869084970e+00 2.869084970e+00 2.00 2.203780352e+00 2.203780352e+00 2.02 1.584924658e+00 1.584924658e+00 2.04 1.010535538e+00 1.010535538e+00 2.06 4.793747148e-01 4.793747148e-01 2.08 -1.201279153e-02 -1.201279153e-02 2.10 -4.656020296e-01 -4.656020296e-01 2.12 -8.832760006e-01 -8.832760006e-01 2.14 -1.266696780e+00 -1.266696780e+00 2.16 -1.617710250e+00 -1.617710250e+00 2.18 -1.937945465e+00 -1.937945465e+00 2.20 -2.229085430e+00 -2.229085430e+00 2.22 -2.492621854e+00 -2.492621854e+00 2.24 -2.729738341e+00 -2.729738341e+00 2.26 -2.942597871e+00 -2.942597871e+00 2.28 -3.132651432e+00 -3.132651432e+00 2.30 -3.300970796e+00 -3.300970796e+00 2.32 -3.449139866e+00 -3.449139866e+00 2.34 -3.578558999e+00 -3.578558999e+00 2.36 -3.690347795e+00 -3.690347795e+00 2.38 -3.785541113e+00 -3.785541113e+00 2.40 -3.865473350e+00 -3.865473350e+00 2.42 -3.931527711e+00 -3.931527711e+00 2.44 -3.984371484e+00 -3.984371484e+00 2.46 -4.024611970e+00 -4.024611970e+00 2.48 -4.053584098e+00 -4.053584098e+00 2.50 -4.072317260e+00 -4.072317260e+00 2.52 -4.082110192e+00 -4.082110192e+00 2.54 -4.083394162e+00 -4.083394162e+00 2.56 -4.076574488e+00 -4.076574488e+00 2.58 -4.062331498e+00 -4.062331498e+00 2.60 -4.041922890e+00 -4.041922890e+00 2.62 -4.015297678e+00 -4.015297678e+00 2.64 -3.982994614e+00 -3.982994614e+00 2.66 -3.945701359e+00 -3.945701359e+00 2.68 -3.903937523e+00 -3.903937523e+00 2.70 -3.857370928e+00 -3.857370928e+00 2.72 -3.807016118e+00 -3.807016118e+00 2.74 -3.753524703e+00 -3.753524703e+00 2.76 -3.697289844e+00 -3.697289844e+00 2.78 -3.638625847e+00 -3.638625847e+00 2.80 -3.577458062e+00 -3.577458062e+00 2.82 -3.514587545e+00 -3.514587545e+00 2.84 -3.450274245e+00 -3.450274245e+00 2.86 -3.384778338e+00 -3.384778338e+00 2.88 -3.318339134e+00 -3.318339134e+00 2.90 -3.251176261e+00 -3.251176261e+00 2.92 -3.183490731e+00 -3.183490731e+00 2.94 -3.115537169e+00 -3.115537169e+00 2.96 -3.047435602e+00 -3.047435602e+00 2.98 -2.979021044e+00 -2.979021044e+00 3.00 -2.910750696e+00 -2.910750696e+00 3.02 -2.842748127e+00 -2.842748127e+00 3.04 -2.775318542e+00 -2.775318542e+00 3.06 -2.708623283e+00 -2.708623283e+00 3.08 -2.642476857e+00 -2.642476857e+00 3.10 -2.576963991e+00 -2.576963991e+00 3.12 -2.512156786e+00 -2.512156786e+00 3.14 -2.448118929e+00 -2.448118929e+00 3.16 -2.384906397e+00 -2.384906397e+00 3.18 -2.322568027e+00 -2.322568027e+00 3.20 -2.261146066e+00 -2.261146066e+00 3.22 -2.200676775e+00 -2.200676775e+00 3.24 -2.141188599e+00 -2.141188599e+00 3.26 -2.083011890e+00 -2.083011890e+00 3.28 -2.025965678e+00 -2.025965678e+00 3.30 -1.969945520e+00 -1.969945520e+00 3.32 -1.914928408e+00 -1.914928408e+00 3.34 -1.860873605e+00 -1.860873605e+00 3.36 -1.807773780e+00 -1.807773780e+00 3.38 -1.755705008e+00 -1.755705008e+00 3.40 -1.704548881e+00 -1.704548881e+00 3.42 -1.654237128e+00 -1.654237128e+00 3.44 -1.604936035e+00 -1.604936035e+00 3.46 -1.556751396e+00 -1.556751396e+00 3.48 -1.509653988e+00 -1.509653988e+00 3.50 -1.463587710e+00 -1.463587710e+00 3.52 -1.418494877e+00 -1.418494877e+00 3.54 -1.374349364e+00 -1.374349364e+00 3.56 -1.331188423e+00 -1.331188423e+00 3.58 -1.289048140e+00 -1.289048140e+00 3.60 -1.247945666e+00 -1.247945666e+00 3.62 -1.207855671e+00 -1.207855671e+00 3.64 -1.168749638e+00 -1.168749638e+00 3.66 -1.130611737e+00 -1.130611737e+00 3.68 -1.093429691e+00 -1.093429691e+00 3.70 -1.057177357e+00 -1.057177357e+00 3.72 -1.021832887e+00 -1.021832887e+00 3.74 -9.873909728e-01 -9.873909728e-01 3.76 -9.538471611e-01 -9.538471611e-01 3.78 -9.211599053e-01 -9.211599053e-01 3.80 -8.892547406e-01 -8.892547406e-01 3.82 -8.581533464e-01 -8.581533464e-01 3.84 -8.278877343e-01 -8.278877343e-01 3.86 -7.984813051e-01 -7.984813051e-01 3.88 -7.699500599e-01 -7.699500599e-01 3.90 -7.422210630e-01 -7.422210630e-01 3.92 -7.152478438e-01 -7.152478438e-01 3.94 -6.890681236e-01 -6.890681236e-01 3.96 -6.636328691e-01 -6.636328691e-01 3.98 -6.389050246e-01 -6.389050246e-01 4.00 -6.148599437e-01 -6.148599437e-01 4.02 -5.914820215e-01 -5.914820215e-01 4.04 -5.687837037e-01 -5.687837037e-01 4.06 -5.468852735e-01 -5.468852735e-01 4.08 -5.256029579e-01 -5.256029579e-01 4.10 -5.047352035e-01 -5.047352035e-01 4.12 -4.841284577e-01 -4.841284577e-01 4.14 -4.636918253e-01 -4.636918253e-01 4.16 -4.435208589e-01 -4.435208589e-01 4.18 -4.243025537e-01 -4.243025537e-01 4.20 -4.052789041e-01 -4.052789041e-01 4.22 -3.864746210e-01 -3.864746210e-01 4.24 -3.679110757e-01 -3.679110757e-01 4.26 -3.496098874e-01 -3.496098874e-01 4.28 -3.315651157e-01 -3.315651157e-01 4.30 -3.142679351e-01 -3.142679351e-01 4.32 -2.974318311e-01 -2.974318311e-01 4.34 -2.809241090e-01 -2.809241090e-01 4.36 -2.648238518e-01 -2.648238518e-01 4.38 -2.491871628e-01 -2.491871628e-01 4.40 -2.340553780e-01 -2.340553780e-01 4.42 -2.194575509e-01 -2.194575509e-01 4.44 -2.054125604e-01 -2.054125604e-01 4.46 -1.919309085e-01 -1.919309085e-01 4.48 -1.790162425e-01 -1.790162425e-01 4.50 -1.666666493e-01 -1.666666493e-01 4.52 -1.548757489e-01 -1.548757489e-01 4.54 -1.436336168e-01 -1.436336168e-01 4.56 -1.329275609e-01 -1.329275609e-01 4.58 -1.227435161e-01 -1.227435161e-01 4.60 -1.132194763e-01 -1.132194763e-01 4.62 -1.043222821e-01 -1.043222821e-01 4.64 -9.587420397e-02 -9.587420397e-02 4.66 -8.785780053e-02 -8.785780053e-02 4.68 -8.025538533e-02 -8.025538533e-02 4.70 -7.304922762e-02 -7.304922762e-02 4.72 -6.622171478e-02 -6.622171478e-02 4.74 -5.975548208e-02 -5.975548208e-02 4.76 -5.363351459e-02 -5.363351459e-02 4.78 -4.784560723e-02 -4.784560723e-02 4.80 -4.240916193e-02 -4.240916193e-02 4.82 -3.828395586e-02 -3.828395586e-02 4.84 -3.442183241e-02 -3.442183241e-02 4.86 -3.076880865e-02 -3.076880865e-02 4.88 -2.731146198e-02 -2.731146198e-02 4.90 -2.403987524e-02 -2.403987524e-02 4.92 -2.094410703e-02 -2.094410703e-02 4.94 -1.797620101e-02 -1.797620101e-02 4.96 -1.585812415e-02 -1.585812415e-02 4.98 -1.449700272e-02 -1.449700272e-02 5.00 -1.317894533e-02 -1.317894533e-02 5.02 -1.192970654e-02 -1.192970654e-02 5.04 -1.074596802e-02 -1.074596802e-02 5.06 -9.624385232e-03 -9.624385232e-03 5.08 -8.561778587e-03 -8.561778587e-03 5.10 -7.555125926e-03 -7.555125926e-03 5.12 -6.601555280e-03 -6.601555280e-03 5.14 -5.698337854e-03 -5.698337854e-03 5.16 -4.842881281e-03 -4.842881281e-03 5.18 -4.032723136e-03 -4.032723136e-03 5.20 -3.265524697e-03 -3.265524697e-03 5.22 -2.539064964e-03 -2.539064964e-03 5.24 -1.851234939e-03 -1.851234939e-03 5.26 -1.200032154e-03 -1.200032154e-03 5.28 -5.839337647e-04 -5.839337647e-04 5.30 -9.161720283e-16 -9.152045594e-16 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 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