{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.02872 7.490766 7.157364 6.915129 6.724762 6.567921 6.434547 6.318523 6.21585 6.123771 6.040301 5.963969 5.893648 5.828461 5.767709 5.710827 5.657351 5.606895 5.559138 5.513805 5.470661 5.429506 5.390163 5.35248 5.314384 5.275126 5.234633 5.192824 5.149612 5.104897 5.058574 5.01052 4.960603 4.908671 4.854554 4.798063 4.738977 4.677047 4.611987 4.543461 4.471081 4.394386 4.312829 4.225752 4.132354 4.031643 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.028720000000001e-10 7.490766e-10 7.157364e-10 6.915129e-10 6.724762000000001e-10 6.567921e-10 6.434547e-10 6.318523000000001e-10 6.21585e-10 6.123771e-10 6.040301000000001e-10 5.963969e-10 5.893648e-10 5.828461e-10 5.767709e-10 5.710827e-10 5.657351e-10 5.606895e-10 5.559138e-10 5.513805e-10 5.470661e-10 5.429506000000001e-10 5.390163e-10 5.35248e-10 5.314384000000001e-10 5.275126000000001e-10 5.234633e-10 5.192824e-10 5.149612e-10 5.104897000000001e-10 5.058574e-10 5.01052e-10 4.960603e-10 4.908671e-10 4.854554000000001e-10 4.798063e-10 4.738977000000001e-10 4.677047e-10 4.611987e-10 4.543461e-10 4.471081e-10 4.394386e-10 4.312829e-10 4.225752e-10 4.1323540000000005e-10 4.031643e-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" [ 0.649367 0.949308 1.17511 1.36594 1.52651 1.66146 1.77556 1.87226 1.95501 2.02706 2.09062 2.14685 2.1964 2.23976 2.27742 2.30981 2.33735 2.3604 2.37928 2.39429 2.40565 2.41358 2.41825 2.41977 2.41812 2.41273 2.4029 2.38779 2.36643 2.33765 2.30003 2.25181 2.19074 2.11388 2.01749 1.89699 1.74697 1.56129 1.3326 1.05079 0.701609 0.264973 -0.288329 -0.999878 -1.92611 -3.15025 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.040400634290678e-19 1.520959096069272e-19 1.88273378437974e-19 2.1884771514459597e-19 2.44573865356734e-19 2.66195239032564e-19 2.84476074426504e-19 2.9996912247728397e-19 3.1322713412363397e-19 3.24770816771604e-19 3.3495425145730794e-19 3.4396329067029e-19 3.5190207589176e-19 3.5884911377678395e-19 3.64882910980428e-19 3.70072361097954e-19 3.7448475554798993e-19 3.7817777268935994e-19 3.81202682174352e-19 3.836075493019859e-19 3.8542762195820997e-19 3.86698148028972e-19 3.8744636451704997e-19 3.87689895365418e-19 3.8742553622080796e-19 3.8656196301508195e-19 3.8498702338385995e-19 3.8256613448988596e-19 3.7914388519966194e-19 3.7453282084700997e-19 3.68505432349902e-19 3.6077973662075395e-19 3.5099524391691595e-19 3.38680914307992e-19 3.23237533732866e-19 3.0393130529316596e-19 2.79895451429898e-19 2.50146235689786e-19 2.1350605824684e-19 1.6835511852408597e-19 1.124101546004106e-19 4.24533549240882e-20 -4.6195398670458597e-20 -1.601981168450652e-19 -3.08596843651374e-19 -5.0472569412585e-19 ] } }