{ "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" [ "Ac" "Ac" "Ac" "Ac" "Ac" "Ac" "Ac" "Ac" ] } "a" { "source-value" [ 14.3431 13.382064 12.786452 12.353709 12.013625 11.733434 11.495166 11.287893 11.104471 10.939974 10.790859 10.654494 10.528868 10.412414 10.303883 10.202264 10.106731 10.016594 9.931278 9.850291 9.773217 9.699694 9.629409 9.56209 9.51626 9.468026 9.417122 9.363234 9.305991 9.244947 9.179562 9.109169 9.032939 8.949815 8.858424 8.756939 8.642851 8.512577 8.360757 8.178821 7.951788 7.64967 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.43431e-09 1.3382064e-09 1.2786452e-09 1.2353709000000001e-09 1.2013625e-09 1.1733434e-09 1.1495166e-09 1.1287893000000002e-09 1.1104471000000001e-09 1.0939974e-09 1.0790859e-09 1.0654494e-09 1.0528867999999999e-09 1.0412414e-09 1.0303883e-09 1.0202264e-09 1.0106731e-09 1.0016594e-09 9.931278000000002e-10 9.850291e-10 9.773217e-10 9.699694e-10 9.629409e-10 9.56209e-10 9.516260000000001e-10 9.468026e-10 9.417122000000001e-10 9.363234e-10 9.305991000000001e-10 9.244947e-10 9.179562000000001e-10 9.109169e-10 9.032939000000001e-10 8.949814999999999e-10 8.858424e-10 8.756938999999999e-10 8.642851e-10 8.512577000000001e-10 8.360756999999999e-10 8.178820999999999e-10 7.951788e-10 7.649670000000001e-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" [ 1.12557 1.68716 2.18073 2.6331 3.05593 3.45203 3.82568 4.17692 4.50685 4.81613 5.10545 5.37538 5.62517 5.85473 6.06474 6.25486 6.424 6.57181 6.69792 6.80191 6.88334 6.94176 6.97774 6.98989 6.98377 6.96318 6.924 6.86075 6.76647 6.63102 6.44049 6.17538 5.80753 5.29507 4.57377 3.54168 2.02692 -0.2742 -3.94684 -10.2404 -22.2351 -49.5512 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.803361939073856e-19 2.703128307548928e-19 3.493914622277184e-19 4.2186912602284805e-19 4.896139600801344e-19 5.530761760300225e-19 6.129415054662144e-19 6.692163570951937e-19 7.220769703452481e-19 7.716290888733505e-19 8.179832628663361e-19 8.612308163915904e-19 9.012515862025537e-19 9.380311527096385e-19 9.716784639230592e-19 1.0021390458377088e-18 1.02923826120192e-18 1.0529200338339648e-18 1.0731250831988736e-18 1.089786117878573e-18 1.1028326421017472e-18 1.112192557920461e-18 1.1179571894020992e-18 1.1199038339963713e-18 1.1189233019044417e-18 1.1156244202422146e-18 1.1093470922419202e-18 1.09921332511536e-18 1.0841080039344576e-18 1.0624065216057217e-18 1.0318802504496192e-18 9.894049460555905e-19 9.304688790594624e-19 8.483637359499457e-19 7.3279873629164155e-19 5.674396894354944e-19 3.247483836231936e-19 -4.3931682942336005e-20 -6.323534774038272e-19 -1.6406929467640319e-18 -3.562455738115008e-18 -7.938977417258497e-18 ] } }