# 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 = AuNi2Pt # 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 7.427985396e+02 7.427985396e+02 1.00 6.743414038e+02 6.743414038e+02 1.02 6.123846290e+02 6.123846290e+02 1.04 5.563066315e+02 5.563066315e+02 1.06 5.055469974e+02 5.055469974e+02 1.08 4.595961472e+02 4.595961472e+02 1.10 4.180012422e+02 4.180012422e+02 1.12 3.803405656e+02 3.803405656e+02 1.14 3.462378461e+02 3.462378461e+02 1.16 3.153564187e+02 3.153564187e+02 1.18 2.873881330e+02 2.873881330e+02 1.20 2.620526893e+02 2.620526893e+02 1.22 2.390941927e+02 2.390941927e+02 1.24 2.182859425e+02 2.182859425e+02 1.26 1.994175974e+02 1.994175974e+02 1.28 1.823001779e+02 1.823001779e+02 1.30 1.667639639e+02 1.667639639e+02 1.32 1.526539234e+02 1.526539234e+02 1.34 1.398298467e+02 1.398298467e+02 1.36 1.281671812e+02 1.281671812e+02 1.38 1.175523845e+02 1.175523845e+02 1.40 1.078807756e+02 1.078807756e+02 1.42 9.906179090e+01 9.906179090e+01 1.44 9.101276379e+01 9.101276379e+01 1.46 8.365836761e+01 8.365836761e+01 1.48 7.693030644e+01 7.693030644e+01 1.50 7.076839981e+01 7.076839981e+01 1.52 6.511901912e+01 6.511901912e+01 1.54 5.993343558e+01 5.993343558e+01 1.56 5.516707568e+01 5.516707568e+01 1.58 5.078043406e+01 5.078043406e+01 1.60 4.673910881e+01 4.673910881e+01 1.62 4.301222977e+01 4.301222977e+01 1.64 3.956983171e+01 3.956983171e+01 1.66 3.638682883e+01 3.638682883e+01 1.68 3.344049774e+01 3.344049774e+01 1.70 3.070994628e+01 3.070994628e+01 1.72 2.817528316e+01 2.817528316e+01 1.74 2.582190097e+01 2.582190097e+01 1.76 2.363477145e+01 2.363477145e+01 1.78 2.159981500e+01 2.159981500e+01 1.80 1.970519378e+01 1.970519378e+01 1.82 1.794187492e+01 1.794187492e+01 1.84 1.630113162e+01 1.630113162e+01 1.86 1.477498495e+01 1.477498495e+01 1.88 1.335491369e+01 1.335491369e+01 1.90 1.198842911e+01 1.198842911e+01 1.92 1.072355316e+01 1.072355316e+01 1.94 9.522463650e+00 9.522463650e+00 1.96 8.384029328e+00 8.384029328e+00 1.98 7.307175722e+00 7.307175722e+00 2.00 6.290659558e+00 6.290659558e+00 2.02 5.333119294e+00 5.333119294e+00 2.04 4.433064869e+00 4.433064869e+00 2.06 3.588928060e+00 3.588928060e+00 2.08 2.798958417e+00 2.798958417e+00 2.10 2.061023872e+00 2.061023872e+00 2.12 1.373380101e+00 1.373380101e+00 2.14 7.346080241e-01 7.346080241e-01 2.16 1.436932090e-01 1.436932090e-01 2.18 -4.026111058e-01 -4.026111058e-01 2.20 -9.061834397e-01 -9.061834397e-01 2.22 -1.369049596e+00 -1.369049596e+00 2.24 -1.793008238e+00 -1.793008238e+00 2.26 -2.179896195e+00 -2.179896195e+00 2.28 -2.531411844e+00 -2.531411844e+00 2.30 -2.849482821e+00 -2.849482821e+00 2.32 -3.135994192e+00 -3.135994192e+00 2.34 -3.392656921e+00 -3.392656921e+00 2.36 -3.621184800e+00 -3.621184800e+00 2.38 -3.823037637e+00 -3.823037637e+00 2.40 -3.999645940e+00 -3.999645940e+00 2.42 -4.153372824e+00 -4.153372824e+00 2.44 -4.285346432e+00 -4.285346432e+00 2.46 -4.397022678e+00 -4.397022678e+00 2.48 -4.489809941e+00 -4.489809941e+00 2.50 -4.565062108e+00 -4.565062108e+00 2.52 -4.624743237e+00 -4.624743237e+00 2.54 -4.669700419e+00 -4.669700419e+00 2.56 -4.700749061e+00 -4.700749061e+00 2.58 -4.719141504e+00 -4.719141504e+00 2.60 -4.725935589e+00 -4.725935589e+00 2.62 -4.722133708e+00 -4.722133708e+00 2.64 -4.708642072e+00 -4.708642072e+00 2.66 -4.686381163e+00 -4.686381163e+00 2.68 -4.656266510e+00 -4.656266510e+00 2.70 -4.619031876e+00 -4.619031876e+00 2.72 -4.575413059e+00 -4.575413059e+00 2.74 -4.526097164e+00 -4.526097164e+00 2.76 -4.471720279e+00 -4.471720279e+00 2.78 -4.412622293e+00 -4.412622293e+00 2.80 -4.349348147e+00 -4.349348147e+00 2.82 -4.282691033e+00 -4.282691033e+00 2.84 -4.213118119e+00 -4.213118119e+00 2.86 -4.141059656e+00 -4.141059656e+00 2.88 -4.066941992e+00 -4.066941992e+00 2.90 -3.990479865e+00 -3.990479865e+00 2.92 -3.912563465e+00 -3.912563465e+00 2.94 -3.833608023e+00 -3.833608023e+00 2.96 -3.754438053e+00 -3.754438053e+00 2.98 -3.674703212e+00 -3.674703212e+00 3.00 -3.594535836e+00 -3.594535836e+00 3.02 -3.513988000e+00 -3.513988000e+00 3.04 -3.433520121e+00 -3.433520121e+00 3.06 -3.353283055e+00 -3.353283055e+00 3.08 -3.273426970e+00 -3.273426970e+00 3.10 -3.194083946e+00 -3.194083946e+00 3.12 -3.115371501e+00 -3.115371501e+00 3.14 -3.037393806e+00 -3.037393806e+00 3.16 -2.960242821e+00 -2.960242821e+00 3.18 -2.883999359e+00 -2.883999359e+00 3.20 -2.808734074e+00 -2.808734074e+00 3.22 -2.734508315e+00 -2.734508315e+00 3.24 -2.661368185e+00 -2.661368185e+00 3.26 -2.589710066e+00 -2.589710066e+00 3.28 -2.519325092e+00 -2.519325092e+00 3.30 -2.450123815e+00 -2.450123815e+00 3.32 -2.382133156e+00 -2.382133156e+00 3.34 -2.315375952e+00 -2.315375952e+00 3.36 -2.249869592e+00 -2.249869592e+00 3.38 -2.185625908e+00 -2.185625908e+00 3.40 -2.122673092e+00 -2.122673092e+00 3.42 -2.061174259e+00 -2.061174259e+00 3.44 -2.000946588e+00 -2.000946588e+00 3.46 -1.942036040e+00 -1.942036040e+00 3.48 -1.884242736e+00 -1.884242736e+00 3.50 -1.827342241e+00 -1.827342241e+00 3.52 -1.771488002e+00 -1.771488002e+00 3.54 -1.716922896e+00 -1.716922896e+00 3.56 -1.663678870e+00 -1.663678870e+00 3.58 -1.611684320e+00 -1.611684320e+00 3.60 -1.560895536e+00 -1.560895536e+00 3.62 -1.511285053e+00 -1.511285053e+00 3.64 -1.462846046e+00 -1.462846046e+00 3.66 -1.415578675e+00 -1.415578675e+00 3.68 -1.369486298e+00 -1.369486298e+00 3.70 -1.324548545e+00 -1.324548545e+00 3.72 -1.280726863e+00 -1.280726863e+00 3.74 -1.238015787e+00 -1.238015787e+00 3.76 -1.196414960e+00 -1.196414960e+00 3.78 -1.155912694e+00 -1.155912694e+00 3.80 -1.116367783e+00 -1.116367783e+00 3.82 -1.077767334e+00 -1.077767334e+00 3.84 -1.040191091e+00 -1.040191091e+00 3.86 -1.003688750e+00 -1.003688750e+00 3.88 -9.682667747e-01 -9.682667747e-01 3.90 -9.339501010e-01 -9.339501010e-01 3.92 -9.007937911e-01 -9.007937911e-01 3.94 -8.688798279e-01 -8.688798279e-01 3.96 -8.379852245e-01 -8.379852245e-01 3.98 -8.077646551e-01 -8.077646551e-01 4.00 -7.780943584e-01 -7.780943584e-01 4.02 -7.489639076e-01 -7.489639076e-01 4.04 -7.203783953e-01 -7.203783953e-01 4.06 -6.923533077e-01 -6.923533077e-01 4.08 -6.649105253e-01 -6.649105253e-01 4.10 -6.380752564e-01 -6.380752564e-01 4.12 -6.119818963e-01 -6.119818963e-01 4.14 -5.865709460e-01 -5.865709460e-01 4.16 -5.617456104e-01 -5.617456104e-01 4.18 -5.380540458e-01 -5.380540458e-01 4.20 -5.147572363e-01 -5.147572363e-01 4.22 -4.918661535e-01 -4.918661535e-01 4.24 -4.693823586e-01 -4.693823586e-01 4.26 -4.473122252e-01 -4.473122252e-01 4.28 -4.256653108e-01 -4.256653108e-01 4.30 -4.044532551e-01 -4.044532551e-01 4.32 -3.836888647e-01 -3.836888647e-01 4.34 -3.633853663e-01 -3.633853663e-01 4.36 -3.435344012e-01 -3.435344012e-01 4.38 -3.240982071e-01 -3.240982071e-01 4.40 -3.051627393e-01 -3.051627393e-01 4.42 -2.868032436e-01 -2.868032436e-01 4.44 -2.690742313e-01 -2.690742313e-01 4.46 -2.520131385e-01 -2.520131385e-01 4.48 -2.356434221e-01 -2.356434221e-01 4.50 -2.199771653e-01 -2.199771653e-01 4.52 -2.050172695e-01 -2.050172695e-01 4.54 -1.907592955e-01 -1.907592955e-01 4.56 -1.771929162e-01 -1.771929162e-01 4.58 -1.642954982e-01 -1.642954982e-01 4.60 -1.522728424e-01 -1.522728424e-01 4.62 -1.410790094e-01 -1.410790094e-01 4.64 -1.304656822e-01 -1.304656822e-01 4.66 -1.204186729e-01 -1.204186729e-01 4.68 -1.109152247e-01 -1.109152247e-01 4.70 -1.019321060e-01 -1.019321060e-01 4.72 -9.344595470e-02 -9.344595470e-02 4.74 -8.543353105e-02 -8.543353105e-02 4.76 -7.787191742e-02 -7.787191742e-02 4.78 -7.074548480e-02 -7.074548480e-02 4.80 -6.403387367e-02 -6.403387367e-02 4.82 -5.949007267e-02 -5.949007267e-02 4.84 -5.528360037e-02 -5.528360037e-02 4.86 -5.131671949e-02 -5.131671949e-02 4.88 -4.757714370e-02 -4.757714370e-02 4.90 -4.405288946e-02 -4.405288946e-02 4.92 -4.073243431e-02 -4.073243431e-02 4.94 -3.760473139e-02 -3.760473139e-02 4.96 -3.465921577e-02 -3.465921577e-02 4.98 -3.188580487e-02 -3.188580487e-02 5.00 -2.927489399e-02 -2.927489399e-02 5.02 -2.681734851e-02 -2.681734851e-02 5.04 -2.450449294e-02 -2.450449294e-02 5.06 -2.232809714e-02 -2.232809714e-02 5.08 -2.028036159e-02 -2.028036159e-02 5.10 -1.835390148e-02 -1.835390148e-02 5.12 -1.654173019e-02 -1.654173019e-02 5.14 -1.483724219e-02 -1.483724219e-02 5.16 -1.323419571e-02 -1.323419571e-02 5.18 -1.172669566e-02 -1.172669566e-02 5.20 -1.030917684e-02 -1.030917684e-02 5.22 -8.976387527e-03 -8.976387527e-03 5.24 -7.723373192e-03 -7.723373192e-03 5.26 -6.545446766e-03 -6.545446766e-03 5.28 -5.439129876e-03 -5.439129876e-03 5.30 -4.420410250e-03 -4.420410250e-03 5.32 -3.911033318e-03 -3.911033318e-03 5.34 -3.446555139e-03 -3.446555139e-03 5.36 -3.013261548e-03 -3.013261548e-03 5.38 -2.605943933e-03 -2.605943933e-03 5.40 -2.223090856e-03 -2.223090856e-03 5.42 -1.863276157e-03 -1.863276157e-03 5.44 -1.525154266e-03 -1.525154266e-03 5.46 -1.207455783e-03 -1.207455783e-03 5.48 -9.089833086e-04 -9.089833086e-04 5.50 -6.286075030e-04 -6.286075030e-04 5.52 -3.652632973e-04 -3.652632973e-04 5.54 -1.163588219e-04 -1.163588219e-04 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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