# 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 = SeTe2Zn # 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 2.119623306e+04 2.119623306e+04 0.96 1.863149757e+04 1.863149757e+04 0.98 1.641759546e+04 1.641759546e+04 1.00 1.450151146e+04 1.450151146e+04 1.02 1.283881921e+04 1.283881921e+04 1.04 1.139546841e+04 1.139546841e+04 1.06 1.014162619e+04 1.014162619e+04 1.08 9.047476513e+03 9.047476513e+03 1.10 8.086109251e+03 8.086109251e+03 1.12 7.237609861e+03 7.237609861e+03 1.14 6.488497588e+03 6.488497588e+03 1.16 5.828377888e+03 5.828377888e+03 1.18 5.247088584e+03 5.247088584e+03 1.20 4.733950872e+03 4.733950872e+03 1.22 4.278375821e+03 4.278375821e+03 1.24 3.870808982e+03 3.870808982e+03 1.26 3.503873765e+03 3.503873765e+03 1.28 3.172757790e+03 3.172757790e+03 1.30 2.874278967e+03 2.874278967e+03 1.32 2.605786767e+03 2.605786767e+03 1.34 2.364672005e+03 2.364672005e+03 1.36 2.148436358e+03 2.148436358e+03 1.38 1.954806348e+03 1.954806348e+03 1.40 1.781652286e+03 1.781652286e+03 1.42 1.626769473e+03 1.626769473e+03 1.44 1.487804388e+03 1.487804388e+03 1.46 1.362388823e+03 1.362388823e+03 1.48 1.248358942e+03 1.248358942e+03 1.50 1.143970400e+03 1.143970400e+03 1.52 1.047975388e+03 1.047975388e+03 1.54 9.595495136e+02 9.595495136e+02 1.56 8.781622260e+02 8.781622260e+02 1.58 8.034060405e+02 8.034060405e+02 1.60 7.348743472e+02 7.348743472e+02 1.62 6.721300734e+02 6.721300734e+02 1.64 6.147231857e+02 6.147231857e+02 1.66 5.622223865e+02 5.622223865e+02 1.68 5.142464794e+02 5.142464794e+02 1.70 4.704809433e+02 4.704809433e+02 1.72 4.306684655e+02 4.306684655e+02 1.74 3.945820459e+02 3.945820459e+02 1.76 3.620057354e+02 3.620057354e+02 1.78 3.327281230e+02 3.327281230e+02 1.80 3.065323265e+02 3.065323265e+02 1.82 2.831809731e+02 2.831809731e+02 1.84 2.624081716e+02 2.624081716e+02 1.86 2.439217352e+02 2.439217352e+02 1.88 2.274115641e+02 2.274115641e+02 1.90 2.125633198e+02 2.125633198e+02 1.92 1.990774140e+02 1.990774140e+02 1.94 1.866910149e+02 1.866910149e+02 1.96 1.751961332e+02 1.751961332e+02 1.98 1.644438871e+02 1.644438871e+02 2.00 1.543338472e+02 1.543338472e+02 2.02 1.447999476e+02 1.447999476e+02 2.04 1.357975092e+02 1.357975092e+02 2.06 1.272908983e+02 1.272908983e+02 2.08 1.192473922e+02 1.192473922e+02 2.10 1.116365558e+02 1.116365558e+02 2.12 1.044307177e+02 1.044307177e+02 2.14 9.760552491e+01 9.760552491e+01 2.16 9.114063956e+01 9.114063956e+01 2.18 8.502012153e+01 8.502012153e+01 2.20 7.923187516e+01 7.923187516e+01 2.22 7.376613848e+01 7.376613848e+01 2.24 6.861374383e+01 6.861374383e+01 2.26 6.376502451e+01 6.376502451e+01 2.28 5.920949836e+01 5.920949836e+01 2.30 5.493586560e+01 5.493586560e+01 2.32 5.093206697e+01 5.093206697e+01 2.34 4.718538370e+01 4.718538370e+01 2.36 4.368258568e+01 4.368258568e+01 2.38 4.041012698e+01 4.041012698e+01 2.40 3.735437791e+01 3.735437791e+01 2.42 3.450186853e+01 3.450186853e+01 2.44 3.183950198e+01 3.183950198e+01 2.46 2.935468577e+01 2.935468577e+01 2.48 2.703533747e+01 2.703533747e+01 2.50 2.486976511e+01 2.486976511e+01 2.52 2.284649914e+01 2.284649914e+01 2.54 2.095421970e+01 2.095421970e+01 2.56 1.918189657e+01 1.918189657e+01 2.58 1.751912299e+01 1.751912299e+01 2.60 1.595651447e+01 1.595651447e+01 2.62 1.448606246e+01 1.448606246e+01 2.64 1.310136685e+01 1.310136685e+01 2.66 1.179766838e+01 1.179766838e+01 2.68 1.057162790e+01 1.057162790e+01 2.70 9.420879991e+00 9.420879991e+00 2.72 8.343499100e+00 8.343499100e+00 2.74 7.337577681e+00 7.337577681e+00 2.76 6.401034121e+00 6.401034121e+00 2.78 5.531591526e+00 5.531591526e+00 2.80 4.726800183e+00 4.726800183e+00 2.82 3.984056399e+00 3.984056399e+00 2.84 3.300624700e+00 3.300624700e+00 2.86 2.673668515e+00 2.673668515e+00 2.88 2.100290417e+00 2.100290417e+00 2.90 1.577582132e+00 1.577582132e+00 2.92 1.102683450e+00 1.102683450e+00 2.94 6.728475301e-01 6.728475301e-01 2.96 2.855076771e-01 2.855076771e-01 2.98 -6.166239153e-02 -6.166239153e-02 3.00 -3.707060354e-01 -3.707060354e-01 3.02 -6.433723354e-01 -6.433723354e-01 3.04 -8.811480830e-01 -8.811480830e-01 3.06 -1.085337648e+00 -1.085337648e+00 3.08 -1.257179255e+00 -1.257179255e+00 3.10 -1.397965507e+00 -1.397965507e+00 3.12 -1.509124772e+00 -1.509124772e+00 3.14 -1.592237947e+00 -1.592237947e+00 3.16 -1.649009779e+00 -1.649009779e+00 3.18 -1.681238513e+00 -1.681238513e+00 3.20 -1.690801566e+00 -1.690801566e+00 3.22 -1.679647552e+00 -1.679647552e+00 3.24 -1.649787560e+00 -1.649787560e+00 3.26 -1.603284598e+00 -1.603284598e+00 3.28 -1.542241084e+00 -1.542241084e+00 3.30 -1.468784349e+00 -1.468784349e+00 3.32 -1.385050135e+00 -1.385050135e+00 3.34 -1.293164159e+00 -1.293164159e+00 3.36 -1.195221838e+00 -1.195221838e+00 3.38 -1.093266370e+00 -1.093266370e+00 3.40 -9.892654480e-01 -9.892654480e-01 3.42 -8.850869571e-01 -8.850869571e-01 3.44 -7.824741285e-01 -7.824741285e-01 3.46 -6.830207010e-01 -6.830207010e-01 3.48 -5.881467596e-01 -5.881467596e-01 3.50 -4.990760131e-01 -4.990760131e-01 3.52 -4.168153764e-01 -4.168153764e-01 3.54 -3.421378268e-01 -3.421378268e-01 3.56 -2.755696155e-01 -2.755696155e-01 3.58 -2.173830412e-01 -2.173830412e-01 3.60 -1.675961357e-01 -1.675961357e-01 3.62 -1.259807497e-01 -1.259807497e-01 3.64 -9.208059751e-02 -9.208059751e-02 3.66 -6.524069013e-02 -6.524069013e-02 3.68 -4.464901451e-02 -4.464901451e-02 3.70 -2.938998460e-02 -2.938998460e-02 3.72 -1.850680836e-02 -1.850680836e-02 3.74 -1.106655451e-02 -1.106655451e-02 3.76 -6.218318830e-03 -6.218318830e-03 3.78 -3.233762020e-03 -3.233762020e-03 3.80 -1.523347666e-03 -1.523347666e-03 3.82 -6.312932360e-04 -6.312932360e-04 3.84 -2.211607788e-04 -2.211607788e-04 3.86 -6.188532251e-05 -6.188532251e-05 3.88 -1.268990971e-05 -1.268990971e-05 3.90 -1.661401905e-06 -1.661401905e-06 3.92 -1.101135904e-07 -1.101135904e-07 3.94 -2.429776486e-09 -2.429776486e-09 3.96 -7.693449929e-12 -7.693449929e-12 3.98 -4.789159344e-16 -4.789159344e-16 4.00 -1.307674533e-24 -1.307674533e-24 4.02 -1.404561185e-51 -1.404561185e-51 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 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