{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.71012 8.12651 7.764813 7.50202 7.295496 7.125345 6.980651 6.85478 6.743394 6.6435 6.552946 6.470135 6.393847 6.323127 6.257219 6.195509 6.137495 6.082757 6.030947 5.981766 5.934961 5.890313 5.847631 5.80675 5.765421 5.722831 5.678902 5.633544 5.586664 5.538155 5.4879 5.435768 5.381614 5.325275 5.266566 5.20528 5.141179 5.073994 5.003412 4.92907 4.850547 4.767343 4.678865 4.584398 4.483073 4.373815 4.255276 4.125732 3.982928 3.823836 3.644257 3.438124 3.196197 2.90338 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.71012e-10 8.12651e-10 7.764813000000001e-10 7.50202e-10 7.295496e-10 7.125345e-10 6.980651e-10 6.85478e-10 6.743394000000001e-10 6.643500000000001e-10 6.552946e-10 6.470135e-10 6.393847000000001e-10 6.323127000000001e-10 6.257219000000001e-10 6.195509000000001e-10 6.137495e-10 6.082757000000001e-10 6.030947000000001e-10 5.981766e-10 5.934961000000001e-10 5.890313e-10 5.847631e-10 5.806750000000001e-10 5.765421e-10 5.722831000000001e-10 5.678902000000001e-10 5.633544e-10 5.586664e-10 5.538155e-10 5.4879e-10 5.435768e-10 5.381614e-10 5.325275e-10 5.266566000000001e-10 5.20528e-10 5.141179e-10 5.073994e-10 5.003412e-10 4.929070000000001e-10 4.850546999999999e-10 4.767343000000001e-10 4.678865e-10 4.5843980000000006e-10 4.4830730000000004e-10 4.3738149999999995e-10 4.2552760000000004e-10 4.1257320000000004e-10 3.982928e-10 3.8238360000000004e-10 3.6442570000000003e-10 3.438124e-10 3.1961970000000004e-10 2.90338e-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" [ 0.794442 1.20604 1.46432 1.64341 1.77512 1.87997 1.96884 2.04536 2.11108 2.1675 2.21688 2.26004 2.2978 2.33088 2.35986 2.38541 2.40786 2.42726 2.4436 2.45675 2.46663 2.47387 2.4784 2.47996 2.47816 2.47204 2.4604 2.44195 2.41546 2.38035 2.33527 2.27843 2.20765 2.12032 2.01314 1.88142 1.71951 1.52222 1.28289 0.992473 0.323447 -2.16851 -9.27962 -13.8274 -14.5056 -15.3577 -16.449 -17.8774 -19.777 -22.3597 -25.9787 -31.4622 -40.3684 -56.6546 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2728364094682278e-19 1.9322891076693599e-19 2.34609928869888e-19 2.6330331020819397e-19 2.8440557865460796e-19 3.0120440066209795e-19 3.15442944408456e-19 3.2770280001182398e-19 3.3823230485047197e-19 3.472717854195e-19 3.55183333638192e-19 3.62098327990536e-19 3.6814814696052e-19 3.73448147265792e-19 3.7809125515112393e-19 3.8218481645099393e-19 3.8578170299432397e-19 3.8888992566428396e-19 3.9150788228423996e-19 3.9361474455794997e-19 3.9519769507234193e-19 3.9635767095535795e-19 3.9708345697056e-19 3.97333396525464e-19 3.9704500473134396e-19 3.9606447263133593e-19 3.9419953902936e-19 3.9124352313962995e-19 3.86999357236164e-19 3.8137411507419e-19 3.74151502808118e-19 3.6504473082046203e-19 3.5370452460501e-19 3.39712716060288e-19 3.22540586897076e-19 3.01436716274028e-19 2.75495874392934e-19 2.43886531580748e-19 2.05541638199226e-19 1.590117050475882e-19 5.182192257373979e-20 -3.4743360525953395e-19 -1.486759033639908e-18 -2.21539371889716e-18 -2.3240533382150397e-18 -2.46057480919818e-18 -2.6354203452666e-18 -2.86427525566716e-18 -3.1686247290618e-18 -3.58241888832498e-18 -4.162246612169579e-18 -5.0408001694234796e-18 -6.46773072319656e-18 -9.07706763286164e-18 ] } }