{ "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" [ 8.88717 8.291697 7.922646 7.654511 7.44379 7.270179 7.122544 6.994115 6.880464 6.778539 6.686145 6.601651 6.523811 6.451654 6.384407 6.321442 6.262248 6.206398 6.153534 6.103354 6.055598 6.010042 5.966492 5.92478 5.882611 5.839155 5.794333 5.748054 5.70022 5.650725 5.599449 5.546257 5.491002 5.433517 5.373615 5.311083 5.24568 5.177129 5.105111 5.029259 4.949139 4.864244 4.773967 4.67758 4.574195 4.462716 4.341768 4.20959 4.063883 3.901557 3.718327 3.508004 3.26116 2.96239 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.88717e-10 8.291696999999999e-10 7.922646e-10 7.654511e-10 7.443790000000001e-10 7.270179e-10 7.122544000000001e-10 6.994115e-10 6.880464e-10 6.778539000000001e-10 6.686145e-10 6.601651000000001e-10 6.523811e-10 6.451654e-10 6.384407e-10 6.321442e-10 6.262248e-10 6.206398000000001e-10 6.153534e-10 6.103354000000001e-10 6.055598e-10 6.010042000000001e-10 5.966492e-10 5.92478e-10 5.882611e-10 5.839155e-10 5.794333000000001e-10 5.748054e-10 5.70022e-10 5.650725000000001e-10 5.599449e-10 5.546257e-10 5.491002000000001e-10 5.433517e-10 5.373615000000001e-10 5.311083e-10 5.245680000000001e-10 5.177129e-10 5.105111e-10 5.029259e-10 4.949139e-10 4.864244e-10 4.773967e-10 4.67758e-10 4.5741949999999995e-10 4.4627160000000005e-10 4.341768e-10 4.2095900000000006e-10 4.063883e-10 3.901557e-10 3.7183270000000003e-10 3.5080040000000004e-10 3.2611599999999997e-10 2.96239e-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" [ 0.787412 1.46795 2.08659 2.60819 3.04554 3.41663 3.73436 4.00716 4.24099 4.44083 4.61455 4.76207 4.88458 4.98562 5.06917 5.13856 5.19621 5.24364 5.28185 5.31154 5.33335 5.34796 5.35612 5.35866 5.35614 5.34847 5.33565 5.3223 5.31042 5.29942 5.288 5.27369 5.25235 5.2176 5.16022 5.06775 4.92412 4.7095 4.40009 3.96749 3.37708 2.58455 1.52831 0.109247 -1.81899 -4.48608 -8.27942 -13.908 -22.3331 -34.8249 -54.2275 -87.0423 -150.314 -286.907 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2615731077312078e-19 2.3519151898803e-19 3.34308574273806e-19 4.1787810750324596e-19 4.87949302591236e-19 5.47404475302342e-19 5.98310433494424e-19 6.420178120699439e-19 6.794815083027659e-19 7.114994061566219e-19 7.3933241864247e-19 7.629677283472379e-19 7.825959942903719e-19 7.98784387000308e-19 8.121705727773779e-19 8.232880764407039e-19 8.325246247357139e-19 8.401237485107759e-19 8.4624566542929e-19 8.510025278556359e-19 8.5449687509439e-19 8.568376551566639e-19 8.581450312900079e-19 8.58551984155044e-19 8.581482356432759e-19 8.569193661649979e-19 8.5486537572021e-19 8.527264699138199e-19 8.508230840726279e-19 8.490606897752279e-19 8.472310040592e-19 8.449382892959459e-19 8.4151924435899e-19 8.359516805558399e-19 8.267583910299479e-19 8.1194306369534995e-19 7.88931000701208e-19 7.545450857823e-19 7.049721385497059e-19 6.35661977362866e-19 5.41067866714872e-19 4.1409056194047e-19 2.44862257150854e-19 1.75032990734598e-20 -2.91434327547966e-19 -7.18749255425472e-19 -1.326509326707228e-18 -2.2283072625671996e-18 -3.57815709847854e-18 -5.579564106138659e-18 -8.6882033420235e-18 -1.394571392296182e-17 -2.40829578563076e-17 -4.596756915310379e-17 ] } }