# 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 = HgS2Se # 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 1.691646279e+04 1.691646279e+04 0.96 1.485553316e+04 1.485553316e+04 0.98 1.309393107e+04 1.309393107e+04 1.00 1.158855890e+04 1.158855890e+04 1.02 1.029537574e+04 1.029537574e+04 1.04 9.173779788e+03 9.173779788e+03 1.06 8.191508674e+03 8.191508674e+03 1.08 7.324535615e+03 7.324535615e+03 1.10 6.555833362e+03 6.555833362e+03 1.12 5.872303479e+03 5.872303479e+03 1.14 5.262500109e+03 5.262500109e+03 1.16 4.716649296e+03 4.716649296e+03 1.18 4.226709206e+03 4.226709206e+03 1.20 3.786568795e+03 3.786568795e+03 1.22 3.391859055e+03 3.391859055e+03 1.24 3.039464132e+03 3.039464132e+03 1.26 2.726994445e+03 2.726994445e+03 1.28 2.451997674e+03 2.451997674e+03 1.30 2.211466665e+03 2.211466665e+03 1.32 2.001781880e+03 2.001781880e+03 1.34 1.818829463e+03 1.818829463e+03 1.36 1.658255740e+03 1.658255740e+03 1.38 1.515866473e+03 1.515866473e+03 1.40 1.388080394e+03 1.388080394e+03 1.42 1.272183836e+03 1.272183836e+03 1.44 1.166218128e+03 1.166218128e+03 1.46 1.068728426e+03 1.068728426e+03 1.48 9.786161342e+02 9.786161342e+02 1.50 8.950885899e+02 8.950885899e+02 1.52 8.176250532e+02 8.176250532e+02 1.54 7.459301010e+02 7.459301010e+02 1.56 6.798328885e+02 6.798328885e+02 1.58 6.191741717e+02 6.191741717e+02 1.60 5.637632899e+02 5.637632899e+02 1.62 5.133763241e+02 5.133763241e+02 1.64 4.677611009e+02 4.677611009e+02 1.66 4.266440597e+02 4.266440597e+02 1.68 3.897372079e+02 3.897372079e+02 1.70 3.567422329e+02 3.567422329e+02 1.72 3.273481159e+02 3.273481159e+02 1.74 3.012222113e+02 3.012222113e+02 1.76 2.780040141e+02 2.780040141e+02 1.78 2.573112464e+02 2.573112464e+02 1.80 2.387579939e+02 2.387579939e+02 1.82 2.219814063e+02 2.219814063e+02 1.84 2.066686636e+02 2.066686636e+02 1.86 1.925687607e+02 1.925687607e+02 1.88 1.794819823e+02 1.794819823e+02 1.90 1.672449177e+02 1.672449177e+02 1.92 1.557310841e+02 1.557310841e+02 1.94 1.448569572e+02 1.448569572e+02 1.96 1.345775085e+02 1.345775085e+02 1.98 1.248718404e+02 1.248718404e+02 2.00 1.157291054e+02 1.157291054e+02 2.02 1.071405245e+02 1.071405245e+02 2.04 9.909628963e+01 9.909628963e+01 2.06 9.158484614e+01 9.158484614e+01 2.08 8.459266357e+01 8.459266357e+01 2.10 7.810402932e+01 7.810402932e+01 2.12 7.210086532e+01 7.210086532e+01 2.14 6.656258208e+01 6.656258208e+01 2.16 6.146598856e+01 6.146598856e+01 2.18 5.678528159e+01 5.678528159e+01 2.20 5.249214432e+01 5.249214432e+01 2.22 4.855598783e+01 4.855598783e+01 2.24 4.494437130e+01 4.494437130e+01 2.26 4.162363091e+01 4.162363091e+01 2.28 3.855973186e+01 3.855973186e+01 2.30 3.571932941e+01 3.571932941e+01 2.32 3.307098320e+01 3.307098320e+01 2.34 3.058642078e+01 3.058642078e+01 2.36 2.824169626e+01 2.824169626e+01 2.38 2.601803426e+01 2.601803426e+01 2.40 2.390208851e+01 2.390208851e+01 2.42 2.188536708e+01 2.188536708e+01 2.44 1.996289691e+01 1.996289691e+01 2.46 1.813174980e+01 1.813174980e+01 2.48 1.639011686e+01 1.639011686e+01 2.50 1.473690261e+01 1.473690261e+01 2.52 1.317140451e+01 1.317140451e+01 2.54 1.169300621e+01 1.169300621e+01 2.56 1.030100676e+01 1.030100676e+01 2.58 8.994582804e+00 8.994582804e+00 2.60 7.772790185e+00 7.772790185e+00 2.62 6.634555738e+00 6.634555738e+00 2.64 5.578663475e+00 5.578663475e+00 2.66 4.603740724e+00 4.603740724e+00 2.68 3.708244971e+00 3.708244971e+00 2.70 2.890451661e+00 2.890451661e+00 2.72 2.148443242e+00 2.148443242e+00 2.74 1.480099772e+00 1.480099772e+00 2.76 8.830914567e-01 8.830914567e-01 2.78 3.548735422e-01 3.548735422e-01 2.80 -1.073159832e-01 -1.073159832e-01 2.82 -5.064553762e-01 -5.064553762e-01 2.84 -8.457342848e-01 -8.457342848e-01 2.86 -1.128544509e+00 -1.128544509e+00 2.88 -1.358465829e+00 -1.358465829e+00 2.90 -1.539246408e+00 -1.539246408e+00 2.92 -1.674777315e+00 -1.674777315e+00 2.94 -1.769060913e+00 -1.769060913e+00 2.96 -1.826173006e+00 -1.826173006e+00 2.98 -1.850218998e+00 -1.850218998e+00 3.00 -1.845284766e+00 -1.845284766e+00 3.02 -1.815383513e+00 -1.815383513e+00 3.04 -1.764400686e+00 -1.764400686e+00 3.06 -1.696039911e+00 -1.696039911e+00 3.08 -1.613773942e+00 -1.613773942e+00 3.10 -1.520805394e+00 -1.520805394e+00 3.12 -1.420042392e+00 -1.420042392e+00 3.14 -1.314093347e+00 -1.314093347e+00 3.16 -1.205282170e+00 -1.205282170e+00 3.18 -1.095679787e+00 -1.095679787e+00 3.20 -9.871403878e-01 -9.871403878e-01 3.22 -8.813248551e-01 -8.813248551e-01 3.24 -7.796957956e-01 -7.796957956e-01 3.26 -6.834839076e-01 -6.834839076e-01 3.28 -5.936471300e-01 -5.936471300e-01 3.30 -5.108494932e-01 -5.108494932e-01 3.32 -4.354677526e-01 -4.354677526e-01 3.34 -3.676184336e-01 -3.676184336e-01 3.36 -3.071992805e-01 -3.071992805e-01 3.38 -2.539409158e-01 -2.539409158e-01 3.40 -2.074620176e-01 -2.074620176e-01 3.42 -1.673184085e-01 -1.673184085e-01 3.44 -1.330361086e-01 -1.330361086e-01 3.46 -1.041234789e-01 -1.041234789e-01 3.48 -8.006861596e-02 -8.006861596e-02 3.50 -6.033874928e-02 -6.033874928e-02 3.52 -4.439619421e-02 -4.439619421e-02 3.54 -3.172767846e-02 -3.172767846e-02 3.56 -2.186907556e-02 -2.186907556e-02 3.58 -1.441068076e-02 -1.441068076e-02 3.60 -8.981679712e-03 -8.981679712e-03 3.62 -5.226786542e-03 -5.226786542e-03 3.64 -2.794106861e-03 -2.794106861e-03 3.66 -1.342854912e-03 -1.342854912e-03 3.68 -5.633751052e-04 -5.633751052e-04 3.70 -1.979433400e-04 -1.979433400e-04 3.72 -5.483852137e-05 -5.483852137e-05 3.74 -1.093647388e-05 -1.093647388e-05 3.76 -1.358863274e-06 -1.358863274e-06 3.78 -8.244301285e-08 -8.244301285e-08 3.80 -1.564023127e-09 -1.564023127e-09 3.82 -3.727576534e-12 -3.727576534e-12 3.84 -1.232725013e-16 -1.232725013e-16 3.86 -4.989285977e-26 -4.989285977e-26 3.88 -3.316719950e-58 -3.316719950e-58 3.90 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 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