{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "a" { "source-value" [ 10.0374 9.364857 8.948042 8.645203 8.407209 8.211129 8.044386 7.899335 7.770974 7.655858 7.551505 7.456075 7.368162 7.286666 7.210714 7.139601 7.072745 7.009667 6.949961 6.893286 6.839349 6.787897 6.738711 6.6916 6.659528 6.625774 6.590151 6.55244 6.512381 6.469662 6.423905 6.374644 6.321298 6.263127 6.199171 6.128152 6.048312 5.957146 5.850902 5.723582 5.564704 5.35328 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.00374e-09 9.364857e-10 8.948041999999999e-10 8.645203e-10 8.407209e-10 8.211129e-10 8.044385999999999e-10 7.899335e-10 7.770974e-10 7.655858e-10 7.551505e-10 7.456075e-10 7.368162e-10 7.286666000000001e-10 7.210714e-10 7.139601e-10 7.072745000000001e-10 7.009667000000001e-10 6.949961000000001e-10 6.893286e-10 6.839349e-10 6.787897e-10 6.738711e-10 6.691600000000001e-10 6.659528e-10 6.625774e-10 6.590151e-10 6.55244e-10 6.512381e-10 6.469662e-10 6.423905e-10 6.374644e-10 6.321298e-10 6.263127e-10 6.199171e-10 6.128152e-10 6.048312e-10 5.957146e-10 5.850902e-10 5.723582e-10 5.564704e-10 5.35328e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0555507 0.0626644 0.0313428 -0.00178945 -0.0272144 -0.0397954 -0.0455119 -0.0501681 -0.0536256 -0.0550876 -0.0542985 -0.0516762 -0.0480024 -0.0436934 -0.0389527 -0.0338827 0.0256511 0.085127 0.132032 0.168363 0.195118 0.213003 0.222666 0.22553 0.224296 0.2205 0.214056 0.204943 0.193222 0.179089 0.162838 0.145371 0.127793 0.11099 0.0955071 0.0806929 0.0756267 0.0627679 0.0363929 -0.0119612 -0.0948593 -0.121253 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.900203280907457e-21 1.0039943663645952e-20 5.021670139041024e-21 -2.86701495409056e-22 -4.360227542909952e-21 -6.375925949538432e-21 -7.291810214818753e-21 -8.037815692995648e-21 -8.59176825963725e-21 -8.826006481598209e-21 -8.69957872445088e-21 -8.279439949178496e-21 -7.690832302228992e-21 -7.000454396326272e-21 -6.2409105257036166e-21 -5.428606978958016e-21 4.109759271780288e-21 1.363884891988416e-20 2.1153858359746563e-20 2.6974726240775043e-20 3.1261349789725443e-20 3.412684267602624e-20 3.5675025944705284e-20 3.6133889328902406e-20 3.593618073389568e-20 3.532799448864e-20 3.4295551874196484e-20 3.283548831966144e-20 3.095757710242176e-20 2.869322088424512e-20 2.6089523657783042e-20 2.329100175423168e-20 2.047469569018944e-20 1.7782558314259203e-20 1.5301924274040768e-20 1.2928427784455232e-20 1.2116733064825537e-20 1.0056526191671233e-20 5.8307853543112324e-21 -1.9163954996712962e-21 -1.5198135272545344e-20 -1.942687218018624e-20 ] } }