{ "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" [ 8.97784 8.376292 8.003477 7.732607 7.519736 7.344354 7.195213 7.065473 6.950663 6.847698 6.754362 6.669006 6.590372 6.517479 6.449545 6.385939 6.326141 6.269721 6.216318 6.165626 6.117382 6.071361 6.027368 5.98523 5.956544 5.926352 5.894489 5.860759 5.824929 5.786719 5.745792 5.701731 5.654016 5.601986 5.544781 5.481258 5.409846 5.328304 5.233274 5.119394 4.977286 4.78818 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.977840000000001e-10 8.376292e-10 8.003477e-10 7.732607e-10 7.519736e-10 7.344354e-10 7.195213e-10 7.065473e-10 6.950663e-10 6.847698e-10 6.754362e-10 6.669006e-10 6.590372000000001e-10 6.517479e-10 6.449545e-10 6.385939e-10 6.326141e-10 6.269721e-10 6.216318e-10 6.165626e-10 6.117382e-10 6.071360999999999e-10 6.027368e-10 5.985229999999999e-10 5.956544000000001e-10 5.926352e-10 5.894489e-10 5.860759e-10 5.824929e-10 5.786719e-10 5.745792e-10 5.701731e-10 5.654016e-10 5.601986000000001e-10 5.544781e-10 5.481258000000001e-10 5.409846e-10 5.328304e-10 5.233274e-10 5.119394e-10 4.977286000000001e-10 4.78818e-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" [ 0.0117087 0.0547784 0.0987286 0.142185 0.184338 0.224698 0.262979 0.299017 0.332726 0.36407 0.393042 0.419656 0.443937 0.465915 0.485627 0.503109 0.518401 0.531541 0.542565 0.551509 0.55841 0.5633 0.566211 0.567175 0.5667 0.565118 0.56215 0.557432 0.550489 0.540693 0.5272 0.508852 0.484032 0.450426 0.404626 0.34144 0.252622 0.124381 -0.0679415 -0.372512 -0.895921 -1.92326 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.87594055545158e-21 8.77646725279056e-21 1.5818065602753238e-20 2.2780548470529e-20 2.95342036358292e-20 3.60005885306532e-20 4.21338809032686e-20 4.7907805056877794e-20 5.33085822724284e-20 5.8330444714038e-20 6.29722708580628e-20 6.723630375179039e-20 7.11265488368058e-20 7.4647812643011e-20 7.78060232239518e-20 8.06069484155106e-20 8.30569969242234e-20 8.51622570212994e-20 8.692849654262098e-20 8.83614833240706e-20 8.946714541919399e-20 9.025060979322e-20 9.07170034113774e-20 9.087145323889499e-20 9.079534984878e-20 9.05418855052812e-20 9.006635948031e-20 8.93104525443888e-20 8.81980613074026e-20 8.662856907673619e-20 8.446675214447999e-20 8.152707845641679e-20 7.75504760508288e-20 7.21662012546084e-20 6.482823227088839e-20 5.4704718991296e-20 4.04745065634348e-20 1.99280331913554e-20 -1.08854283778911e-20 -5.96830022284608e-20 -1.4354236921099137e-19 -3.08140223310684e-19 ] } }