# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgCuPd2 # 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 5.743071293e+02 5.743071293e+02 1.00 5.251639827e+02 5.251639827e+02 1.02 4.808338241e+02 4.808338241e+02 1.04 4.407947941e+02 4.407947941e+02 1.06 4.045821427e+02 4.045821427e+02 1.08 3.717844303e+02 3.717844303e+02 1.10 3.420419164e+02 3.420419164e+02 1.12 3.150313687e+02 3.150313687e+02 1.14 2.904634568e+02 2.904634568e+02 1.16 2.680838645e+02 2.680838645e+02 1.18 2.476686488e+02 2.476686488e+02 1.20 2.290158750e+02 2.290158750e+02 1.22 2.119449322e+02 2.119449322e+02 1.24 1.963021032e+02 1.963021032e+02 1.26 1.819458629e+02 1.819458629e+02 1.28 1.687511658e+02 1.687511658e+02 1.30 1.566028405e+02 1.566028405e+02 1.32 1.454033104e+02 1.454033104e+02 1.34 1.350656994e+02 1.350656994e+02 1.36 1.255103778e+02 1.255103778e+02 1.38 1.166659789e+02 1.166659789e+02 1.40 1.084702794e+02 1.084702794e+02 1.42 1.008655221e+02 1.008655221e+02 1.44 9.380164403e+01 9.380164403e+01 1.46 8.723311726e+01 8.723311726e+01 1.48 8.111993450e+01 8.111993450e+01 1.50 7.542575871e+01 7.542575871e+01 1.52 7.011727671e+01 7.011727671e+01 1.54 6.516384912e+01 6.516384912e+01 1.56 6.053808268e+01 6.053808268e+01 1.58 5.621544572e+01 5.621544572e+01 1.60 5.217529300e+01 5.217529300e+01 1.62 4.839709705e+01 4.839709705e+01 1.64 4.486230401e+01 4.486230401e+01 1.66 4.155399078e+01 4.155399078e+01 1.68 3.845663571e+01 3.845663571e+01 1.70 3.555609069e+01 3.555609069e+01 1.72 3.283917490e+01 3.283917490e+01 1.74 3.029388811e+01 3.029388811e+01 1.76 2.790845410e+01 2.790845410e+01 1.78 2.567161636e+01 2.567161636e+01 1.80 2.355265516e+01 2.355265516e+01 1.82 2.159013657e+01 2.159013657e+01 1.84 1.973712181e+01 1.973712181e+01 1.86 1.800868147e+01 1.800868147e+01 1.88 1.638257457e+01 1.638257457e+01 1.90 1.485349652e+01 1.485349652e+01 1.92 1.341663993e+01 1.341663993e+01 1.94 1.206669442e+01 1.206669442e+01 1.96 1.080047805e+01 1.080047805e+01 1.98 9.613653639e+00 9.613653639e+00 2.00 8.502539084e+00 8.502539084e+00 2.02 7.463541403e+00 7.463541403e+00 2.04 6.493129524e+00 6.493129524e+00 2.06 5.587777561e+00 5.587777561e+00 2.08 4.744125712e+00 4.744125712e+00 2.10 3.959265690e+00 3.959265690e+00 2.12 3.229588006e+00 3.229588006e+00 2.14 2.552625214e+00 2.552625214e+00 2.16 1.925626451e+00 1.925626451e+00 2.18 1.346055498e+00 1.346055498e+00 2.20 8.113869749e-01 8.113869749e-01 2.22 3.193929978e-01 3.193929978e-01 2.24 -1.321089329e-01 -1.321089329e-01 2.26 -5.459680898e-01 -5.459680898e-01 2.28 -9.242955520e-01 -9.242955520e-01 2.30 -1.269237150e+00 -1.269237150e+00 2.32 -1.582899000e+00 -1.582899000e+00 2.34 -1.867060088e+00 -1.867060088e+00 2.36 -2.123532416e+00 -2.123532416e+00 2.38 -2.353815851e+00 -2.353815851e+00 2.40 -2.559319770e+00 -2.559319770e+00 2.42 -2.742103506e+00 -2.742103506e+00 2.44 -2.903528500e+00 -2.903528500e+00 2.46 -3.044882214e+00 -3.044882214e+00 2.48 -3.167859906e+00 -3.167859906e+00 2.50 -3.273883525e+00 -3.273883525e+00 2.52 -3.363939679e+00 -3.363939679e+00 2.54 -3.439188212e+00 -3.439188212e+00 2.56 -3.500722822e+00 -3.500722822e+00 2.58 -3.549535250e+00 -3.549535250e+00 2.60 -3.587386777e+00 -3.587386777e+00 2.62 -3.614676866e+00 -3.614676866e+00 2.64 -3.632055556e+00 -3.632055556e+00 2.66 -3.640089530e+00 -3.640089530e+00 2.68 -3.639832772e+00 -3.639832772e+00 2.70 -3.631977885e+00 -3.631977885e+00 2.72 -3.617204493e+00 -3.617204493e+00 2.74 -3.596150538e+00 -3.596150538e+00 2.76 -3.569407440e+00 -3.569407440e+00 2.78 -3.538011901e+00 -3.538011901e+00 2.80 -3.501608826e+00 -3.501608826e+00 2.82 -3.460984378e+00 -3.460984378e+00 2.84 -3.416693861e+00 -3.416693861e+00 2.86 -3.369163918e+00 -3.369163918e+00 2.88 -3.318787678e+00 -3.318787678e+00 2.90 -3.265942595e+00 -3.265942595e+00 2.92 -3.211092010e+00 -3.211092010e+00 2.94 -3.154398159e+00 -3.154398159e+00 2.96 -3.096150752e+00 -3.096150752e+00 2.98 -3.036616924e+00 -3.036616924e+00 3.00 -2.976036435e+00 -2.976036435e+00 3.02 -2.914501695e+00 -2.914501695e+00 3.04 -2.851274515e+00 -2.851274515e+00 3.06 -2.787793908e+00 -2.787793908e+00 3.08 -2.724099521e+00 -2.724099521e+00 3.10 -2.660393995e+00 -2.660393995e+00 3.12 -2.596814400e+00 -2.596814400e+00 3.14 -2.533486486e+00 -2.533486486e+00 3.16 -2.470523323e+00 -2.470523323e+00 3.18 -2.408026493e+00 -2.408026493e+00 3.20 -2.346086925e+00 -2.346086925e+00 3.22 -2.284785719e+00 -2.284785719e+00 3.24 -2.224183418e+00 -2.224183418e+00 3.26 -2.164941701e+00 -2.164941701e+00 3.28 -2.106695329e+00 -2.106695329e+00 3.30 -2.049286258e+00 -2.049286258e+00 3.32 -1.992757274e+00 -1.992757274e+00 3.34 -1.937146775e+00 -1.937146775e+00 3.36 -1.882497380e+00 -1.882497380e+00 3.38 -1.828816924e+00 -1.828816924e+00 3.40 -1.776110865e+00 -1.776110865e+00 3.42 -1.724421977e+00 -1.724421977e+00 3.44 -1.673653941e+00 -1.673653941e+00 3.46 -1.623861424e+00 -1.623861424e+00 3.48 -1.575130861e+00 -1.575130861e+00 3.50 -1.527477962e+00 -1.527477962e+00 3.52 -1.480891972e+00 -1.480891972e+00 3.54 -1.435372603e+00 -1.435372603e+00 3.56 -1.390906091e+00 -1.390906091e+00 3.58 -1.347491199e+00 -1.347491199e+00 3.60 -1.305130781e+00 -1.305130781e+00 3.62 -1.263749981e+00 -1.263749981e+00 3.64 -1.223259241e+00 -1.223259241e+00 3.66 -1.183615108e+00 -1.183615108e+00 3.68 -1.144879868e+00 -1.144879868e+00 3.70 -1.107130161e+00 -1.107130161e+00 3.72 -1.070415054e+00 -1.070415054e+00 3.74 -1.034705508e+00 -1.034705508e+00 3.76 -9.999645135e-01 -9.999645135e-01 3.78 -9.661688201e-01 -9.661688201e-01 3.80 -9.332995032e-01 -9.332995032e-01 3.82 -9.013337222e-01 -9.013337222e-01 3.84 -8.702381626e-01 -8.702381626e-01 3.86 -8.400032990e-01 -8.400032990e-01 3.88 -8.106240546e-01 -8.106240546e-01 3.90 -7.820935829e-01 -7.820935829e-01 3.92 -7.543585348e-01 -7.543585348e-01 3.94 -7.273373022e-01 -7.273373022e-01 3.96 -7.009667584e-01 -7.009667584e-01 3.98 -6.753348739e-01 -6.753348739e-01 4.00 -6.505094732e-01 -6.505094732e-01 4.02 -6.265390596e-01 -6.265390596e-01 4.04 -6.034564026e-01 -6.034564026e-01 4.06 -5.813245831e-01 -5.813245831e-01 4.08 -5.601235012e-01 -5.601235012e-01 4.10 -5.398904421e-01 -5.398904421e-01 4.12 -5.204561326e-01 -5.204561326e-01 4.14 -5.015875844e-01 -5.015875844e-01 4.16 -4.831095830e-01 -4.831095830e-01 4.18 -4.648940896e-01 -4.648940896e-01 4.20 -4.468511824e-01 -4.468511824e-01 4.22 -4.289214493e-01 -4.289214493e-01 4.24 -4.110696307e-01 -4.110696307e-01 4.26 -3.932791041e-01 -3.932791041e-01 4.28 -3.755075403e-01 -3.755075403e-01 4.30 -3.583574999e-01 -3.583574999e-01 4.32 -3.416081330e-01 -3.416081330e-01 4.34 -3.250197999e-01 -3.250197999e-01 4.36 -3.086408783e-01 -3.086408783e-01 4.38 -2.925498248e-01 -2.925498248e-01 4.40 -2.768241889e-01 -2.768241889e-01 4.42 -2.615235281e-01 -2.615235281e-01 4.44 -2.466923470e-01 -2.466923470e-01 4.46 -2.323626048e-01 -2.323626048e-01 4.48 -2.185558572e-01 -2.185558572e-01 4.50 -2.052850734e-01 -2.052850734e-01 4.52 -1.925561828e-01 -1.925561828e-01 4.54 -1.803693845e-01 -1.803693845e-01 4.56 -1.687201157e-01 -1.687201157e-01 4.58 -1.575884464e-01 -1.575884464e-01 4.60 -1.472997557e-01 -1.472997557e-01 4.62 -1.378071028e-01 -1.378071028e-01 4.64 -1.287568854e-01 -1.287568854e-01 4.66 -1.201462954e-01 -1.201462954e-01 4.68 -1.119601179e-01 -1.119601179e-01 4.70 -1.041825542e-01 -1.041825542e-01 4.72 -9.679750673e-02 -9.679750673e-02 4.74 -8.978877132e-02 -8.978877132e-02 4.76 -8.314019571e-02 -8.314019571e-02 4.78 -7.683580372e-02 -7.683580372e-02 4.80 -7.085815286e-02 -7.085815286e-02 4.82 -6.524523358e-02 -6.524523358e-02 4.84 -5.994706115e-02 -5.994706115e-02 4.86 -5.492751338e-02 -5.492751338e-02 4.88 -5.017296823e-02 -5.017296823e-02 4.90 -4.567029836e-02 -4.567029836e-02 4.92 -4.140664303e-02 -4.140664303e-02 4.94 -3.734127235e-02 -3.734127235e-02 4.96 -3.390602184e-02 -3.390602184e-02 4.98 -3.105854814e-02 -3.105854814e-02 5.00 -2.833841019e-02 -2.833841019e-02 5.02 -2.576568974e-02 -2.576568974e-02 5.04 -2.333284779e-02 -2.333284779e-02 5.06 -2.103249818e-02 -2.103249818e-02 5.08 -1.885761376e-02 -1.885761376e-02 5.10 -1.680151414e-02 -1.680151414e-02 5.12 -1.485785316e-02 -1.485785316e-02 5.14 -1.302060573e-02 -1.302060573e-02 5.16 -1.128405453e-02 -1.128405453e-02 5.18 -9.642776868e-03 -9.642776868e-03 5.20 -8.091631563e-03 -8.091631563e-03 5.22 -6.625746216e-03 -6.625746216e-03 5.24 -5.240504347e-03 -5.240504347e-03 5.26 -3.931505976e-03 -3.931505976e-03 5.28 -2.696378686e-03 -2.696378686e-03 5.30 -1.569520867e-03 -1.569520867e-03 5.32 -1.360628770e-03 -1.360628770e-03 5.34 -1.192194653e-03 -1.192194653e-03 5.36 -1.040686191e-03 -1.040686191e-03 5.38 -8.986328668e-04 -8.986328668e-04 5.40 -7.654592712e-04 -7.654592712e-04 5.42 -6.406240490e-04 -6.406240490e-04 5.44 -5.236179336e-04 -5.236179336e-04 5.46 -4.139619029e-04 -4.139619029e-04 5.48 -3.112054439e-04 -3.112054439e-04 5.50 -2.149249150e-04 -2.149249150e-04 5.52 -1.247219770e-04 -1.247219770e-04 5.54 -3.968152535e-05 -3.968152535e-05 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 0.000000000e+00 5.70 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