# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Zhou-X-W-Foster-M-E-van-Swol-F-B-et-al--Cd-Te-Se # implementation = 2014--Zhou-X-W--Cd-Te-Se--LAMMPS--ipr1 # composition = Cd2SeTe # 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 2.00 2.884229170e+01 2.884229170e+01 2.02 2.683574564e+01 2.683574564e+01 2.04 2.495202431e+01 2.495202431e+01 2.06 2.318361523e+01 2.318361523e+01 2.08 2.152317476e+01 2.152317476e+01 2.10 1.996342117e+01 1.996342117e+01 2.12 1.849721960e+01 1.849721960e+01 2.14 1.711803722e+01 1.711803722e+01 2.16 1.582016512e+01 1.582016512e+01 2.18 1.459936963e+01 1.459936963e+01 2.20 1.345216787e+01 1.345216787e+01 2.22 1.237525758e+01 1.237525758e+01 2.24 1.136461466e+01 1.136461466e+01 2.26 1.041644366e+01 1.041644366e+01 2.28 9.527156594e+00 9.527156594e+00 2.30 8.693354019e+00 8.693354019e+00 2.32 7.911810169e+00 7.911810169e+00 2.34 7.179466911e+00 7.179466911e+00 2.36 6.493443279e+00 6.493443279e+00 2.38 5.851040120e+00 5.851040120e+00 2.40 5.249788363e+00 5.249788363e+00 2.42 4.687396574e+00 4.687396574e+00 2.44 4.161742232e+00 4.161742232e+00 2.46 3.670928409e+00 3.670928409e+00 2.48 3.213144405e+00 3.213144405e+00 2.50 2.786694676e+00 2.786694676e+00 2.52 2.390031453e+00 2.390031453e+00 2.54 2.021708860e+00 2.021708860e+00 2.56 1.680292652e+00 1.680292652e+00 2.58 1.364265878e+00 1.364265878e+00 2.60 1.072023766e+00 1.072023766e+00 2.62 8.021646731e-01 8.021646731e-01 2.64 5.527323818e-01 5.527323818e-01 2.66 3.227961630e-01 3.227961630e-01 2.68 1.112008415e-01 1.112008415e-01 2.70 -8.316800664e-02 -8.316800664e-02 2.72 -2.613204954e-01 -2.613204954e-01 2.74 -4.244048530e-01 -4.244048530e-01 2.76 -5.731787338e-01 -5.731787338e-01 2.78 -7.085319055e-01 -7.085319055e-01 2.80 -8.312634727e-01 -8.312634727e-01 2.82 -9.421338353e-01 -9.421338353e-01 2.84 -1.041866536e+00 -1.041866536e+00 2.86 -1.131149598e+00 -1.131149598e+00 2.88 -1.210637344e+00 -1.210637344e+00 2.90 -1.280951733e+00 -1.280951733e+00 2.92 -1.342683806e+00 -1.342683806e+00 2.94 -1.396395014e+00 -1.396395014e+00 2.96 -1.442618529e+00 -1.442618529e+00 2.98 -1.481860457e+00 -1.481860457e+00 3.00 -1.514601013e+00 -1.514601013e+00 3.02 -1.541295647e+00 -1.541295647e+00 3.04 -1.562376142e+00 -1.562376142e+00 3.06 -1.578251609e+00 -1.578251609e+00 3.08 -1.589309511e+00 -1.589309511e+00 3.10 -1.595916622e+00 -1.595916622e+00 3.12 -1.598419896e+00 -1.598419896e+00 3.14 -1.597147404e+00 -1.597147404e+00 3.16 -1.592409153e+00 -1.592409153e+00 3.18 -1.584497924e+00 -1.584497924e+00 3.20 -1.573690086e+00 -1.573690086e+00 3.22 -1.560246398e+00 -1.560246398e+00 3.24 -1.544412787e+00 -1.544412786e+00 3.26 -1.526421186e+00 -1.526421186e+00 3.28 -1.506490338e+00 -1.506490338e+00 3.30 -1.484826691e+00 -1.484826691e+00 3.32 -1.461625369e+00 -1.461625369e+00 3.34 -1.437071148e+00 -1.437071148e+00 3.36 -1.411339635e+00 -1.411339635e+00 3.38 -1.384598455e+00 -1.384598455e+00 3.40 -1.357008484e+00 -1.357008484e+00 3.42 -1.328724890e+00 -1.328724890e+00 3.44 -1.299897768e+00 -1.299897768e+00 3.46 -1.270671713e+00 -1.270671713e+00 3.48 -1.241183540e+00 -1.241183540e+00 3.50 -1.211557093e+00 -1.211557093e+00 3.52 -1.181894135e+00 -1.181894135e+00 3.54 -1.152261153e+00 -1.152261153e+00 3.56 -1.122674116e+00 -1.122674116e+00 3.58 -1.093087111e+00 -1.093087111e+00 3.60 -1.063394703e+00 -1.063394703e+00 3.62 -1.033458623e+00 -1.033458623e+00 3.64 -1.003160577e+00 -1.003160577e+00 3.66 -9.724647425e-01 -9.724647425e-01 3.68 -9.414564434e-01 -9.414564434e-01 3.70 -9.103282518e-01 -9.103282518e-01 3.72 -8.792675290e-01 -8.792675290e-01 3.74 -8.486136120e-01 -8.486136120e-01 3.76 -8.183142357e-01 -8.183142357e-01 3.78 -7.886752807e-01 -7.886752807e-01 3.80 -7.594709401e-01 -7.594709401e-01 3.82 -7.307543958e-01 -7.307543958e-01 3.84 -7.025221347e-01 -7.025221347e-01 3.86 -6.747676460e-01 -6.747676460e-01 3.88 -6.474815675e-01 -6.474815675e-01 3.90 -6.206518785e-01 -6.206518785e-01 3.92 -5.942641128e-01 -5.942641128e-01 3.94 -5.683015880e-01 -5.683015880e-01 3.96 -5.427457396e-01 -5.427457396e-01 3.98 -5.175764483e-01 -5.175764483e-01 4.00 -4.927724919e-01 -4.927724919e-01 4.02 -4.683120936e-01 -4.683120936e-01 4.04 -4.441735456e-01 -4.441735456e-01 4.06 -4.203360096e-01 -4.203360096e-01 4.08 -3.967804338e-01 -3.967804338e-01 4.10 -3.734906526e-01 -3.734906526e-01 4.12 -3.504546722e-01 -3.504546722e-01 4.14 -3.276661277e-01 -3.276661277e-01 4.16 -3.051259274e-01 -3.051259274e-01 4.18 -2.828440453e-01 -2.828440453e-01 4.20 -2.608414076e-01 -2.608414076e-01 4.22 -2.391517961e-01 -2.391517961e-01 4.24 -2.178236267e-01 -2.178236267e-01 4.26 -1.969214275e-01 -1.969214275e-01 4.28 -1.765267824e-01 -1.765267824e-01 4.30 -1.567384304e-01 -1.567384304e-01 4.32 -1.376712007e-01 -1.376712007e-01 4.34 -1.194534057e-01 -1.194534057e-01 4.36 -1.022223673e-01 -1.022223673e-01 4.38 -8.611784388e-02 -8.611784388e-02 4.40 -7.127333903e-02 -7.127333903e-02 4.42 -5.780563888e-02 -5.780563888e-02 4.44 -4.580341944e-02 -4.580341944e-02 4.46 -3.531644063e-02 -3.531644063e-02 4.48 -2.634754231e-02 -2.634754231e-02 4.50 -1.885037904e-02 -1.885037904e-02 4.52 -1.209554759e-02 -1.209554759e-02 4.54 -7.721836095e-03 -7.721836095e-03 4.56 -4.274368894e-03 -4.274368894e-03 4.58 -1.909920449e-03 -1.909920449e-03 4.60 3.632909281e-05 3.632909281e-05 4.62 1.580150648e-05 1.580150648e-05 4.64 3.625516035e-06 3.625516035e-06 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00