{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 6.1995 5.784111 5.526669 5.339624 5.192629 5.071522 4.968535 4.878945 4.799665 4.728564 4.664112 4.605171 4.550871 4.500536 4.453626 4.409703 4.368411 4.329451 4.292574 4.257569 4.224256 4.192477 4.162097 4.133 4.113191 4.092343 4.070341 4.047049 4.022307 3.995922 3.967661 3.937235 3.904287 3.868358 3.828856 3.784992 3.73568 3.679372 3.613751 3.535113 3.436984 3.3064 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.1995e-10 5.784111e-10 5.526669000000001e-10 5.339624e-10 5.192629e-10 5.071522e-10 4.968535000000001e-10 4.878945e-10 4.799665000000001e-10 4.728564e-10 4.664112e-10 4.6051710000000004e-10 4.550871e-10 4.500536e-10 4.453626e-10 4.4097030000000007e-10 4.368411e-10 4.329451e-10 4.292574e-10 4.2575690000000003e-10 4.2242559999999995e-10 4.192477e-10 4.162097e-10 4.133e-10 4.1131909999999995e-10 4.0923429999999997e-10 4.070341e-10 4.0470490000000007e-10 4.022307e-10 3.9959220000000004e-10 3.967661e-10 3.937235e-10 3.904287e-10 3.8683580000000004e-10 3.828856e-10 3.784992e-10 3.73568e-10 3.679372e-10 3.6137510000000004e-10 3.535113e-10 3.436984e-10 3.3064e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.56311 2.13057 2.55702 2.89956 3.18425 3.42572 3.63321 3.81301 3.96965 4.10653 4.22627 4.33095 4.42226 4.50157 4.57006 4.6287 4.67833 4.71968 4.75338 4.77998 4.79998 4.8138 4.82185 4.82445 4.8232 4.81908 4.81147 4.79959 4.78242 4.75867 4.72662 4.68402 4.62779 4.55364 4.45551 4.32444 4.1468 3.90073 3.54909 3.02338 2.18217 0.678905 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.504378297738688e-19 3.4135494429778565e-19 4.0967976629180164e-19 4.645607242606848e-19 5.1017309047824e-19 5.488608493406976e-19 5.821044120456768e-19 6.109115476876608e-19 6.360080422758721e-19 6.579386358613825e-19 6.771230987188418e-19 6.93894683585376e-19 7.085241583099007e-19 7.2123102108946565e-19 7.322043287653248e-19 7.415994924696961e-19 7.495510950387264e-19 7.561760953657345e-19 7.615754305778304e-19 7.658372203891585e-19 7.690415736307584e-19 7.71255781720704e-19 7.725455339004481e-19 7.7296209982185595e-19 7.72761827744256e-19 7.721017309764864e-19 7.708824745680577e-19 7.689790887425472e-19 7.662281514846337e-19 7.624229820102337e-19 7.572880059405696e-19 7.504627335359617e-19 7.414536943972032e-19 7.295735547539712e-19 7.138513955740609e-19 6.928516666052352e-19 6.64390601113344e-19 6.249658410053184e-19 5.686269023115073e-19 4.843988751794304e-19 3.4962217566111364e-19 1.0877257187442241e-19 ] } }