# 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 = Hg2SSe # 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 1.355342187e+04 1.355342187e+04 0.96 1.191434735e+04 1.191434735e+04 0.98 1.051117359e+04 1.051117359e+04 1.00 9.309712959e+03 9.309712959e+03 1.02 8.275493257e+03 8.275493257e+03 1.04 7.375647543e+03 7.375647543e+03 1.06 6.583475682e+03 6.583475682e+03 1.08 5.880185840e+03 5.880185840e+03 1.10 5.254406546e+03 5.254406546e+03 1.12 4.698430039e+03 4.698430039e+03 1.14 4.204760363e+03 4.204760363e+03 1.16 3.765599261e+03 3.765599261e+03 1.18 3.373789599e+03 3.373789599e+03 1.20 3.023716094e+03 3.023716094e+03 1.22 2.711230848e+03 2.711230848e+03 1.24 2.433349336e+03 2.433349336e+03 1.26 2.187807935e+03 2.187807935e+03 1.28 1.972303987e+03 1.972303987e+03 1.30 1.784131918e+03 1.784131918e+03 1.32 1.620177949e+03 1.620177949e+03 1.34 1.477019774e+03 1.477019774e+03 1.36 1.351089248e+03 1.351089248e+03 1.38 1.238909841e+03 1.238909841e+03 1.40 1.137416126e+03 1.137416126e+03 1.42 1.044240120e+03 1.044240120e+03 1.44 9.577804897e+02 9.577804897e+02 1.46 8.771023603e+02 8.771023603e+02 1.48 8.017688873e+02 8.017688873e+02 1.50 7.316143457e+02 7.316143457e+02 1.52 6.665470618e+02 6.665470618e+02 1.54 6.064647494e+02 6.064647494e+02 1.56 5.512398784e+02 5.512398784e+02 1.58 5.007191966e+02 5.007191966e+02 1.60 4.547255119e+02 4.547255119e+02 1.62 4.130606894e+02 4.130606894e+02 1.64 3.755088129e+02 3.755088129e+02 1.66 3.418379821e+02 3.418379821e+02 1.68 3.117997918e+02 3.117997918e+02 1.70 2.851271783e+02 2.851271783e+02 1.72 2.615316799e+02 2.615316799e+02 1.74 2.407004848e+02 2.407004848e+02 1.76 2.222965437e+02 2.222965437e+02 1.78 2.059663198e+02 2.059663198e+02 1.80 1.913562864e+02 1.913562864e+02 1.82 1.781372586e+02 1.781372586e+02 1.84 1.660301179e+02 1.660301179e+02 1.86 1.548193440e+02 1.548193440e+02 1.88 1.443465653e+02 1.443465653e+02 1.90 1.344970569e+02 1.344970569e+02 1.92 1.251955577e+02 1.251955577e+02 1.94 1.164028614e+02 1.164028614e+02 1.96 1.081023677e+02 1.081023677e+02 1.98 1.002846425e+02 1.002846425e+02 2.00 9.294033622e+01 9.294033622e+01 2.02 8.605901104e+01 8.605901104e+01 2.04 7.962894453e+01 7.962894453e+01 2.06 7.363695883e+01 7.363695883e+01 2.08 6.806826658e+01 6.806826658e+01 2.10 6.290634270e+01 6.290634270e+01 2.12 5.813283474e+01 5.813283474e+01 2.14 5.372752791e+01 5.372752791e+01 2.16 4.966838553e+01 4.966838553e+01 2.18 4.593168855e+01 4.593168855e+01 2.20 4.249229953e+01 4.249229953e+01 2.22 3.932407244e+01 3.932407244e+01 2.24 3.640041783e+01 3.640041783e+01 2.26 3.369500857e+01 3.369500857e+01 2.28 3.118257490e+01 3.118257490e+01 2.30 2.883969354e+01 2.883969354e+01 2.32 2.664544487e+01 2.664544487e+01 2.34 2.458182560e+01 2.458182560e+01 2.36 2.263388428e+01 2.263388428e+01 2.38 2.078965647e+01 2.078965647e+01 2.40 1.903999473e+01 1.903999473e+01 2.42 1.737826330e+01 1.737826330e+01 2.44 1.579982832e+01 1.579982832e+01 2.46 1.430149080e+01 1.430149080e+01 2.48 1.288108678e+01 1.288108678e+01 2.50 1.153720228e+01 1.153720228e+01 2.52 1.026884426e+01 1.026884426e+01 2.54 9.075126433e+00 9.075126433e+00 2.56 7.955095371e+00 7.955095371e+00 2.58 6.907692564e+00 6.907692564e+00 2.60 5.931758348e+00 5.931758348e+00 2.62 5.026026947e+00 5.026026947e+00 2.64 4.189116216e+00 4.189116216e+00 2.66 3.419517557e+00 3.419517557e+00 2.68 2.715586747e+00 2.715586747e+00 2.70 2.075535900e+00 2.075535900e+00 2.72 1.497426802e+00 1.497426802e+00 2.74 9.791659010e-01 9.791659010e-01 2.76 5.185012497e-01 5.185012497e-01 2.78 1.130217448e-01 1.130217448e-01 2.80 -2.398409891e-01 -2.398409891e-01 2.82 -5.428076889e-01 -5.428076889e-01 2.84 -7.987431362e-01 -7.987431362e-01 2.86 -1.010644060e+00 -1.010644060e+00 2.88 -1.181622916e+00 -1.181622916e+00 2.90 -1.314887251e+00 -1.314887251e+00 2.92 -1.413714471e+00 -1.413714471e+00 2.94 -1.481421955e+00 -1.481421955e+00 2.96 -1.521332677e+00 -1.521332677e+00 2.98 -1.536736793e+00 -1.536736793e+00 3.00 -1.530849984e+00 -1.530849984e+00 3.02 -1.506769875e+00 -1.506769875e+00 3.04 -1.467432404e+00 -1.467432404e+00 3.06 -1.415570694e+00 -1.415570694e+00 3.08 -1.353679691e+00 -1.353679691e+00 3.10 -1.283990412e+00 -1.283990412e+00 3.12 -1.208457916e+00 -1.208457916e+00 3.14 -1.128766619e+00 -1.128766619e+00 3.16 -1.046354892e+00 -1.046354892e+00 3.18 -9.624574877e-01 -9.624574877e-01 3.20 -8.781592976e-01 -8.781592976e-01 3.22 -7.944484370e-01 -7.944484370e-01 3.24 -7.122538711e-01 -7.122538711e-01 3.26 -6.324571296e-01 -6.324571296e-01 3.28 -5.558804077e-01 -5.558804077e-01 3.30 -4.832660958e-01 -4.832660958e-01 3.32 -4.152610302e-01 -4.152610302e-01 3.34 -3.524044480e-01 -3.524044480e-01 3.36 -2.951130082e-01 -2.951130082e-01 3.38 -2.436629689e-01 -2.436629689e-01 3.40 -1.981752447e-01 -1.981752447e-01 3.42 -1.586093764e-01 -1.586093764e-01 3.44 -1.247693065e-01 -1.247693065e-01 3.46 -9.632087970e-02 -9.632087970e-02 3.48 -7.282015521e-02 -7.282015521e-02 3.50 -5.375085092e-02 -5.375085092e-02 3.52 -3.856680919e-02 -3.856680919e-02 3.54 -2.673204659e-02 -2.673204659e-02 3.56 -1.774868829e-02 -1.774868829e-02 3.58 -1.116492187e-02 -1.116492187e-02 3.60 -6.563590162e-03 -6.563590162e-03 3.62 -3.544578291e-03 -3.544578291e-03 3.64 -1.719620540e-03 -1.719620540e-03 3.66 -7.269927100e-04 -7.269927100e-04 3.68 -2.565298598e-04 -2.565298598e-04 3.70 -7.092453400e-05 -7.092453400e-05 3.72 -1.394863228e-05 -1.394863228e-05 3.74 -1.670354468e-06 -1.670354468e-06 3.76 -9.323618252e-08 -9.323618252e-08 3.78 -1.469686594e-09 -1.469686594e-09 3.80 -2.260383407e-12 -2.260383407e-12 3.82 -2.240201171e-17 -2.240201171e-17 3.84 -9.263858034e-29 -9.263858034e-29 3.86 -3.736128518e-80 -3.736128518e-80 3.88 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 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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