# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Zhou-X-W-Ward-D-K-Martin-J-E-et-al--Zn-Cd-Hg-S-Se-Te # implementation = SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_002 # composition = STeZn2 # 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 1.395975499e+04 1.395975499e+04 0.96 1.227288488e+04 1.227288488e+04 0.98 1.082123803e+04 1.082123803e+04 1.00 9.566430166e+03 9.566430166e+03 1.02 8.479741784e+03 8.479741784e+03 1.04 7.537194317e+03 7.537194317e+03 1.06 6.715645780e+03 6.715645780e+03 1.08 5.993213150e+03 5.993213150e+03 1.10 5.353409795e+03 5.353409795e+03 1.12 4.786101533e+03 4.786101533e+03 1.14 4.283522139e+03 4.283522139e+03 1.16 3.838129673e+03 3.838129673e+03 1.18 3.442944714e+03 3.442944714e+03 1.20 3.091748630e+03 3.091748630e+03 1.22 2.779065108e+03 2.779065108e+03 1.24 2.500294688e+03 2.500294688e+03 1.26 2.251896732e+03 2.251896732e+03 1.28 2.031127178e+03 2.031127178e+03 1.30 1.835377470e+03 1.835377470e+03 1.32 1.661993281e+03 1.661993281e+03 1.34 1.508363652e+03 1.508363652e+03 1.36 1.371975841e+03 1.371975841e+03 1.38 1.250474422e+03 1.250474422e+03 1.40 1.141724535e+03 1.141724535e+03 1.42 1.043778035e+03 1.043778035e+03 1.44 9.548253215e+02 9.548253215e+02 1.46 8.733158624e+02 8.733158624e+02 1.48 7.981281785e+02 7.981281785e+02 1.50 7.285825955e+02 7.285825955e+02 1.52 6.642891780e+02 6.642891780e+02 1.54 6.049820709e+02 6.049820709e+02 1.56 5.504521208e+02 5.504521208e+02 1.58 5.005164999e+02 5.005164999e+02 1.60 4.549847346e+02 4.549847346e+02 1.62 4.136428629e+02 4.136428629e+02 1.64 3.762548911e+02 3.762548911e+02 1.66 3.425694219e+02 3.425694219e+02 1.68 3.123272909e+02 3.123272909e+02 1.70 2.852672316e+02 2.852672316e+02 1.72 2.611263971e+02 2.611263971e+02 1.74 2.396365446e+02 2.396365446e+02 1.76 2.205231377e+02 2.205231377e+02 1.78 2.035126400e+02 2.035126400e+02 1.80 1.883436663e+02 1.883436663e+02 1.82 1.747749850e+02 1.747749850e+02 1.84 1.625859686e+02 1.625859686e+02 1.86 1.515708475e+02 1.515708475e+02 1.88 1.415351663e+02 1.415351663e+02 1.90 1.323002524e+02 1.323002524e+02 1.92 1.237123079e+02 1.237123079e+02 1.94 1.156523302e+02 1.156523302e+02 1.96 1.080421245e+02 1.080421245e+02 1.98 1.008378014e+02 1.008378014e+02 2.00 9.401267149e+01 9.401267149e+01 2.02 8.754488686e+01 8.754488686e+01 2.04 8.141516901e+01 8.141516901e+01 2.06 7.560757577e+01 7.560757577e+01 2.08 7.010979934e+01 7.010979934e+01 2.10 6.491251252e+01 6.491251252e+01 2.12 6.000794235e+01 6.000794235e+01 2.14 5.538840871e+01 5.538840871e+01 2.16 5.104552182e+01 5.104552182e+01 2.18 4.696998206e+01 4.696998206e+01 2.20 4.315156444e+01 4.315156444e+01 2.22 3.957914234e+01 3.957914234e+01 2.24 3.624076193e+01 3.624076193e+01 2.26 3.312378591e+01 3.312378591e+01 2.28 3.021512423e+01 3.021512423e+01 2.30 2.750156379e+01 2.750156379e+01 2.32 2.497019401e+01 2.497019401e+01 2.34 2.260889396e+01 2.260889396e+01 2.36 2.040679976e+01 2.040679976e+01 2.38 1.835461891e+01 1.835461891e+01 2.40 1.644463852e+01 1.644463852e+01 2.42 1.467034609e+01 1.467034609e+01 2.44 1.302577856e+01 1.302577856e+01 2.46 1.150492946e+01 1.150492946e+01 2.48 1.010150242e+01 1.010150242e+01 2.50 8.808957511e+00 8.808957511e+00 2.52 7.620629922e+00 7.620629922e+00 2.54 6.529853592e+00 6.529853592e+00 2.56 5.530102478e+00 5.530102478e+00 2.58 4.615146120e+00 4.615146120e+00 2.60 3.779204135e+00 3.779204135e+00 2.62 3.017075168e+00 3.017075168e+00 2.64 2.324208881e+00 2.324208881e+00 2.66 1.696690539e+00 1.696690539e+00 2.68 1.131124302e+00 1.131124302e+00 2.70 6.244373060e-01 6.244373060e-01 2.72 1.736702261e-01 1.736702261e-01 2.74 -2.241634682e-01 -2.241634682e-01 2.76 -5.721117699e-01 -5.721117699e-01 2.78 -8.732500385e-01 -8.732500385e-01 2.80 -1.130636728e+00 -1.130636728e+00 2.82 -1.347277237e+00 -1.347277237e+00 2.84 -1.526093518e+00 -1.526093518e+00 2.86 -1.669901056e+00 -1.669901056e+00 2.88 -1.781397279e+00 -1.781397279e+00 2.90 -1.863164958e+00 -1.863164958e+00 2.92 -1.917691912e+00 -1.917691912e+00 2.94 -1.947404122e+00 -1.947404122e+00 2.96 -1.954703684e+00 -1.954703684e+00 2.98 -1.941998097e+00 -1.941998097e+00 3.00 -1.911707341e+00 -1.911707341e+00 3.02 -1.866243463e+00 -1.866243463e+00 3.04 -1.807971122e+00 -1.807971122e+00 3.06 -1.739165066e+00 -1.739165066e+00 3.08 -1.661973891e+00 -1.661973891e+00 3.10 -1.578389703e+00 -1.578389703e+00 3.12 -1.490222372e+00 -1.490222372e+00 3.14 -1.399079883e+00 -1.399079883e+00 3.16 -1.306357391e+00 -1.306357391e+00 3.18 -1.213237556e+00 -1.213237556e+00 3.20 -1.120703991e+00 -1.120703991e+00 3.22 -1.029567920e+00 -1.029567920e+00 3.24 -9.405051153e-01 -9.405051153e-01 3.26 -8.540961973e-01 -8.540961973e-01 3.28 -7.708597348e-01 -7.708597348e-01 3.30 -6.912671147e-01 -6.912671147e-01 3.32 -6.157342779e-01 -6.157342779e-01 3.34 -5.445978126e-01 -5.445978126e-01 3.36 -4.780930290e-01 -4.780930290e-01 3.38 -4.163478500e-01 -4.163478500e-01 3.40 -3.593925848e-01 -3.593925848e-01 3.42 -3.071793872e-01 -3.071793872e-01 3.44 -2.596074853e-01 -2.596074853e-01 3.46 -2.165510996e-01 -2.165510996e-01 3.48 -1.778854600e-01 -1.778854600e-01 3.50 -1.435048153e-01 -1.435048153e-01 3.52 -1.133262768e-01 -1.133262768e-01 3.54 -8.727610246e-02 -8.727610246e-02 3.56 -6.526111463e-02 -6.526111463e-02 3.58 -4.713517080e-02 -4.713517080e-02 3.60 -3.267366936e-02 -3.267366936e-02 3.62 -2.156401170e-02 -2.156401170e-02 3.64 -1.341125668e-02 -1.341125668e-02 3.66 -7.754978473e-03 -7.754978473e-03 3.68 -4.095418471e-03 -4.095418471e-03 3.70 -1.927830117e-03 -1.927830117e-03 3.72 -7.819511281e-04 -7.819511281e-04 3.74 -2.603120519e-04 -2.603120519e-04 3.76 -6.614885770e-05 -6.614885770e-05 3.78 -1.146041510e-05 -1.146041510e-05 3.80 -1.123699377e-06 -1.123699377e-06 3.82 -4.481313773e-08 -4.481313773e-08 3.84 -3.804942374e-10 -3.804942374e-10 3.86 -1.590469208e-13 -1.590469208e-13 3.88 -5.083738867e-20 -5.083738867e-20 3.90 -1.248983543e-37 -1.248983543e-37 3.92 -1.231028686e-263 -1.231028686e-263 3.94 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 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 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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