{ "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" [ "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" [ 6.00693 5.604443 5.354998 5.173763 5.031334 4.913989 4.814201 4.727395 4.650577 4.581685 4.519234 4.462124 4.409511 4.36074 4.315286 4.272728 4.232718 4.194969 4.159238 4.12532 4.093041 4.062249 4.032814 4.00462 3.985427 3.965226 3.943907 3.921339 3.897366 3.871801 3.844417 3.814937 3.783012 3.7482 3.709925 3.667423 3.619643 3.565085 3.501503 3.425308 3.330227 3.2037 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.006929999999999e-10 5.604443e-10 5.354998e-10 5.173763e-10 5.031334e-10 4.913989e-10 4.814201e-10 4.727395e-10 4.6505770000000004e-10 4.581685e-10 4.519234e-10 4.4621240000000004e-10 4.4095110000000005e-10 4.36074e-10 4.315286000000001e-10 4.272728e-10 4.2327180000000003e-10 4.1949690000000004e-10 4.159238e-10 4.1253200000000004e-10 4.0930410000000004e-10 4.062249000000001e-10 4.032814e-10 4.00462e-10 3.9854270000000003e-10 3.965226e-10 3.943907e-10 3.921339e-10 3.897366e-10 3.8718010000000003e-10 3.844417e-10 3.8149370000000003e-10 3.783012e-10 3.7482000000000006e-10 3.7099250000000005e-10 3.667423e-10 3.619643e-10 3.565085e-10 3.501503e-10 3.425308e-10 3.330227e-10 3.2037e-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" [ -0.492306 -0.671664 -0.713527 -0.669376 -0.579914 -0.47138 -0.202549 -0.0166315 0.166144 0.339249 0.499022 0.643729 0.773001 0.887216 0.987113 1.07356 1.14745 1.20958 1.26068 1.30133 1.33202 1.35316 1.36512 1.36866 1.36774 1.36742 1.35104 1.23398 1.06687 0.892721 0.704066 0.495613 0.26293 0.000746386 -0.297913 -0.642539 -1.05643 -1.55946 -2.19578 -3.07497 -4.32599 -6.30815 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -7.887611634795649e-20 -1.0761243578330113e-19 -1.1431962777095616e-19 -1.0724585777246209e-19 -9.291246528746113e-20 -7.552340155127041e-20 -3.245192723664192e-20 -2.66466004688352e-21 2.6619203248619518e-20 5.435368164297793e-20 7.995213816648577e-20 1.0313675539309633e-19 1.2384841300550209e-19 1.421476732799693e-19 1.5815293706877505e-19 1.7200327330260482e-19 1.8384175635369601e-19 1.9379607969872642e-19 2.019832022310144e-19 2.0849605019456643e-19 2.1341313024380161e-19 2.168001316201728e-19 2.187163348586496e-19 2.192835053824128e-19 2.191361051332992e-19 2.190848354814336e-19 2.164604701765632e-19 1.9770539065347842e-19 1.709314171432896e-19 1.430296715097197e-19 1.1280380847001728e-19 7.940595615645505e-20 4.21260298906944e-20 1.195842199292429e-22 -4.773092436323904e-20 -1.0294609637522112e-19 -1.692587447511744e-19 -2.498530353072768e-19 -3.5180273804202244e-19 -4.926645043661377e-19 -6.931000039814593e-19 -1.0106770450499521e-18 ] } }