# 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 = HgS2Te # 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 1.858339238e+04 1.858339238e+04 0.96 1.631669601e+04 1.631669601e+04 0.98 1.438149264e+04 1.438149264e+04 1.00 1.272404472e+04 1.272404472e+04 1.02 1.129665478e+04 1.129665478e+04 1.04 1.006154913e+04 1.006154913e+04 1.06 8.988295926e+03 8.988295926e+03 1.08 8.049294908e+03 8.049294908e+03 1.10 7.220129905e+03 7.220129905e+03 1.12 6.482074094e+03 6.482074094e+03 1.14 5.821770799e+03 5.821770799e+03 1.16 5.228924852e+03 5.228924852e+03 1.18 4.695247170e+03 4.695247170e+03 1.20 4.214543589e+03 4.214543589e+03 1.22 3.782234635e+03 3.782234635e+03 1.24 3.394541847e+03 3.394541847e+03 1.26 3.048251364e+03 3.048251364e+03 1.28 2.740566370e+03 2.740566370e+03 1.30 2.468600984e+03 2.468600984e+03 1.32 2.229066523e+03 2.229066523e+03 1.34 2.018360974e+03 2.018360974e+03 1.36 1.832797202e+03 1.832797202e+03 1.38 1.668875712e+03 1.668875712e+03 1.40 1.523527214e+03 1.523527214e+03 1.42 1.394123177e+03 1.394123177e+03 1.44 1.278203394e+03 1.278203394e+03 1.46 1.173335021e+03 1.173335021e+03 1.48 1.077329777e+03 1.077329777e+03 1.50 9.885590341e+02 9.885590341e+02 1.52 9.060639545e+02 9.060639545e+02 1.54 8.293787498e+02 8.293787498e+02 1.56 7.582788518e+02 7.582788518e+02 1.58 6.926103201e+02 6.926103201e+02 1.60 6.322121716e+02 6.322121716e+02 1.62 5.768972929e+02 5.768972929e+02 1.64 5.264542210e+02 5.264542210e+02 1.66 4.806532754e+02 4.806532754e+02 1.68 4.392524516e+02 4.392524516e+02 1.70 4.019999597e+02 4.019999597e+02 1.72 3.686297573e+02 3.686297573e+02 1.74 3.388502368e+02 3.388502368e+02 1.76 3.123357505e+02 3.123357505e+02 1.78 2.887307534e+02 2.887307534e+02 1.80 2.676653387e+02 2.676653387e+02 1.82 2.487774363e+02 2.487774363e+02 1.84 2.317346855e+02 2.317346855e+02 1.86 2.162449088e+02 2.162449088e+02 1.88 2.020502851e+02 2.020502851e+02 1.90 1.889194952e+02 1.889194952e+02 1.92 1.766547720e+02 1.766547720e+02 1.94 1.651061484e+02 1.651061484e+02 1.96 1.541776420e+02 1.541776420e+02 1.98 1.438201095e+02 1.438201095e+02 2.00 1.340137014e+02 1.340137014e+02 2.02 1.247491803e+02 1.247491803e+02 2.04 1.160180052e+02 1.160180052e+02 2.06 1.078101994e+02 1.078101994e+02 2.08 1.001140597e+02 1.001140597e+02 2.10 9.291594593e+01 9.291594593e+01 2.12 8.620008858e+01 8.620008858e+01 2.14 7.994843162e+01 7.994843162e+01 2.16 7.414052718e+01 7.414052718e+01 2.18 6.875350690e+01 6.875350690e+01 2.20 6.376215921e+01 6.376215921e+01 2.22 5.913914671e+01 5.913914671e+01 2.24 5.485539843e+01 5.485539843e+01 2.26 5.088070521e+01 5.088070521e+01 2.28 4.718452902e+01 4.718452902e+01 2.30 4.373700513e+01 4.373700513e+01 2.32 4.051007237e+01 4.051007237e+01 2.34 3.747861706e+01 3.747861706e+01 2.36 3.462146974e+01 3.462146974e+01 2.38 3.192204818e+01 3.192204818e+01 2.40 2.936839084e+01 2.936839084e+01 2.42 2.695236081e+01 2.695236081e+01 2.44 2.466813488e+01 2.466813488e+01 2.46 2.251066409e+01 2.251066409e+01 2.48 2.047486081e+01 2.047486081e+01 2.50 1.855550222e+01 1.855550222e+01 2.52 1.674734471e+01 1.674734471e+01 2.54 1.504524038e+01 1.504524038e+01 2.56 1.344426467e+01 1.344426467e+01 2.58 1.193985493e+01 1.193985493e+01 2.60 1.052794512e+01 1.052794512e+01 2.62 9.205072606e+00 9.205072606e+00 2.64 7.968426897e+00 7.968426897e+00 2.66 6.815811339e+00 6.815811339e+00 2.68 5.745505001e+00 5.745505001e+00 2.70 4.756046945e+00 4.756046945e+00 2.72 3.846006513e+00 3.846006513e+00 2.74 3.013818051e+00 3.013818051e+00 2.76 2.257714736e+00 2.257714736e+00 2.78 1.575723792e+00 1.575723792e+00 2.80 9.656687698e-01 9.656687698e-01 2.82 4.251649681e-01 4.251649681e-01 2.84 -4.838559632e-02 -4.838559632e-02 2.86 -4.577969239e-01 -4.577969239e-01 2.88 -8.060988886e-01 -8.060988886e-01 2.90 -1.096533762e+00 -1.096533762e+00 2.92 -1.332548931e+00 -1.332548931e+00 2.94 -1.517785333e+00 -1.517785333e+00 2.96 -1.656061132e+00 -1.656061132e+00 2.98 -1.751350200e+00 -1.751350200e+00 3.00 -1.807755029e+00 -1.807755029e+00 3.02 -1.829473786e+00 -1.829473786e+00 3.04 -1.820761374e+00 -1.820761374e+00 3.06 -1.785884567e+00 -1.785884567e+00 3.08 -1.729071524e+00 -1.729071524e+00 3.10 -1.654456347e+00 -1.654456347e+00 3.12 -1.566019743e+00 -1.566019743e+00 3.14 -1.467527386e+00 -1.467527386e+00 3.16 -1.362468128e+00 -1.362468128e+00 3.18 -1.253994944e+00 -1.253994944e+00 3.20 -1.144872181e+00 -1.144872181e+00 3.22 -1.037433417e+00 -1.037433417e+00 3.24 -9.335547693e-01 -9.335547693e-01 3.26 -8.346485799e-01 -8.346485799e-01 3.28 -7.416816471e-01 -7.416816471e-01 3.30 -6.552199476e-01 -6.552199476e-01 3.32 -5.754976136e-01 -5.754976136e-01 3.34 -5.025018825e-01 -5.025018825e-01 3.36 -4.360595113e-01 -4.360595113e-01 3.38 -3.759078237e-01 -3.759078237e-01 3.40 -3.217398622e-01 -3.217398622e-01 3.42 -2.732267866e-01 -2.732267866e-01 3.44 -2.300287925e-01 -2.300287925e-01 3.46 -1.917989986e-01 -1.917989986e-01 3.48 -1.581800226e-01 -1.581800226e-01 3.50 -1.288033015e-01 -1.288033015e-01 3.52 -1.033040145e-01 -1.033040145e-01 3.54 -8.134805149e-02 -8.134805149e-02 3.56 -6.265257873e-02 -6.265257873e-02 3.58 -4.698480891e-02 -4.698480891e-02 3.60 -3.413730576e-02 -3.413730576e-02 3.62 -2.389291159e-02 -2.389291159e-02 3.64 -1.599911070e-02 -1.599911070e-02 3.66 -1.016209391e-02 -1.016209391e-02 3.68 -6.055720975e-03 -6.055720975e-03 3.70 -3.337693139e-03 -3.337693139e-03 3.72 -1.669616779e-03 -1.669616779e-03 3.74 -7.388811307e-04 -7.388811307e-04 3.76 -2.792076869e-04 -2.792076869e-04 3.78 -8.564516803e-05 -8.564516803e-05 3.80 -1.978859816e-05 -1.978859816e-05 3.82 -3.068481514e-06 -3.068481514e-06 3.84 -2.645801401e-07 -2.645801401e-07 3.86 -9.134975230e-09 -9.134975230e-09 3.88 -6.729164225e-11 -6.729164225e-11 3.90 -2.663868407e-14 -2.663868407e-14 3.92 -1.380614237e-20 -1.380614237e-20 3.94 -4.139661204e-36 -4.139661204e-36 3.96 -1.245324048e-137 -1.245324048e-137 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