{ "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" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 6.95213 6.486311 6.197615 5.987862 5.823021 5.687211 5.571722 5.471255 5.38235 5.302618 5.230341 5.164244 5.103352 5.046907 4.994301 4.945046 4.89874 4.855051 4.813697 4.774443 4.737084 4.701447 4.66738 4.63475 4.612536 4.589157 4.564484 4.538365 4.510619 4.481031 4.449339 4.415219 4.378271 4.33798 4.293683 4.244493 4.189195 4.126051 4.052464 3.964279 3.854237 3.7078 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.95213e-10 6.486311e-10 6.197615e-10 5.987862e-10 5.823021e-10 5.687211e-10 5.571722e-10 5.471255000000001e-10 5.38235e-10 5.302618e-10 5.230341000000001e-10 5.164244e-10 5.103352e-10 5.046907000000001e-10 4.994301e-10 4.945046e-10 4.89874e-10 4.855051e-10 4.813697000000001e-10 4.774443e-10 4.737084e-10 4.701447e-10 4.66738e-10 4.6347500000000005e-10 4.6125360000000005e-10 4.5891570000000003e-10 4.564484e-10 4.538365e-10 4.5106190000000003e-10 4.481031e-10 4.4493390000000004e-10 4.415219e-10 4.378271e-10 4.33798e-10 4.2936829999999996e-10 4.2444930000000005e-10 4.189195e-10 4.126051e-10 4.0524639999999996e-10 3.964279e-10 3.854237e-10 3.7078000000000004e-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" [ 1.67495 1.8178 1.65293 1.25095 0.785169 0.488126 0.373975 0.39922 0.508073 0.643033 0.828885 1.02381 1.18133 1.28615 1.3436 1.37215 1.39387 1.42444 1.46985 1.53439 1.61954 1.69023 1.73288 1.74719 1.74005 1.7162 1.67137 1.60127 1.50274 1.37241 1.20718 1.00433 0.782609 0.574244 0.374412 0.174329 -0.0412099 -0.315173 -0.851961 -2.21159 -4.26359 -7.9788 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.6835657531183e-19 2.9124366852852e-19 2.64828582363762e-19 2.0042428603022998e-19 1.2579794255411459e-19 7.82064071647884e-20 5.9917400670015e-20 6.3962095582548e-20 8.140226889662819e-20 1.0302524474909219e-19 1.32802017927309e-19 1.64032445965554e-19 1.8926993230432198e-19 2.0606394778190997e-19 2.1526845254423998e-19 2.1984266683431e-19 2.2332259448335796e-19 2.28220448453496e-19 2.3549593254849e-19 2.45836380544326e-19 2.59478914582836e-19 2.7080470120858196e-19 2.7763798455259196e-19 2.79930699315846e-19 2.7878674519917e-19 2.7496555392707996e-19 2.67782996076858e-19 2.56551737872518e-19 2.40765491497716e-19 2.1988432342679395e-19 1.9341155890321196e-19 1.6091140588252199e-19 1.2538778533581058e-19 9.200403190146959e-20 5.99874157889208e-20 2.79305850428586e-20 -6.60255388694766e-21 -5.0496281626768196e-20 -1.364992007279274e-19 -3.54335782198806e-19 -6.831024274956059e-19 -1.2783446927359198e-18 ] } }