{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 9.41324 8.782517 8.391621 8.107614 7.884418 7.700531 7.544157 7.408125 7.287746 7.179788 7.081924 6.992428 6.909981 6.833553 6.762324 6.695633 6.632935 6.573779 6.517786 6.464635 6.414051 6.365799 6.319671 6.27549 6.245412 6.213757 6.180349 6.144983 6.107415 6.067353 6.024441 5.978243 5.928214 5.873661 5.813682 5.747079 5.672203 5.586707 5.487068 5.367666 5.218667 5.02039 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.41324e-10 8.782517000000001e-10 8.391621000000001e-10 8.107614e-10 7.884418000000001e-10 7.700531e-10 7.544157e-10 7.408125e-10 7.287746000000001e-10 7.179788000000001e-10 7.081924000000001e-10 6.992428e-10 6.909981e-10 6.833553000000001e-10 6.762324e-10 6.695633e-10 6.632935e-10 6.573779e-10 6.517786000000001e-10 6.464635e-10 6.414051e-10 6.365799000000001e-10 6.319670999999999e-10 6.27549e-10 6.245412000000001e-10 6.213757000000001e-10 6.180349e-10 6.144983e-10 6.107415e-10 6.067353e-10 6.024441000000001e-10 5.978243e-10 5.928214e-10 5.873661e-10 5.813682e-10 5.747079e-10 5.672203e-10 5.586707e-10 5.487068e-10 5.367666000000001e-10 5.218667000000001e-10 5.02039e-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" [ 0.795537 1.16368 1.44918 1.68892 1.90589 2.09513 2.26176 2.4093 2.54035 2.65684 2.76032 2.85202 2.93296 3.00396 3.06667 3.12288 3.17112 3.21183 3.24544 3.27229 3.29271 3.30699 3.31538 3.31813 3.3168 3.31342 3.30837 3.29895 3.28403 3.26214 3.23129 3.18881 3.13101 3.05267 2.94619 2.80017 2.59673 2.30649 1.88893 1.25273 0.183088 -1.82218 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2745907823813696e-19 1.864420890092544e-19 2.321842315330944e-19 2.705948138401536e-19 3.0535723998165125e-19 3.3567683035367043e-19 3.6237389938606086e-19 3.8601241324934404e-19 4.0700893786492805e-19 4.256726933206272e-19 4.422520169926656e-19 4.569439766054016e-19 4.699119941741568e-19 4.812874481818368e-19 4.913346977708736e-19 5.003405325563904e-19 5.080694325751296e-19 5.145918935984064e-19 5.199768092209152e-19 5.242786534477632e-19 5.275502981074368e-19 5.298382063219392e-19 5.311824325067904e-19 5.316230310775104e-19 5.314099415869441e-19 5.308684058891136e-19 5.300593066956096e-19 5.28550056318816e-19 5.261596088005824e-19 5.226524441776513e-19 5.177097293024832e-19 5.109036830173248e-19 5.016431021491008e-19 4.890916505017536e-19 4.720316738434753e-19 4.486366908265536e-19 4.1604200965299844e-19 3.6954043541089924e-19 3.026399484327744e-19 2.007094718174784e-19 2.933393131490304e-20 -2.919454194889344e-19 ] } }