{ "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" [ 6.16695 5.753742 5.497651 5.311588 5.165365 5.044894 4.942448 4.853329 4.774465 4.703737 4.639623 4.580992 4.526977 4.476907 4.430242 4.38655 4.345475 4.306719 4.270036 4.235215 4.202076 4.170464 4.140245 4.1113 4.091595 4.070857 4.04897 4.0258 4.001188 3.974942 3.946829 3.916563 3.883788 3.848048 3.808753 3.765119 3.716066 3.660054 3.594777 3.516552 3.418938 3.28904 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.16695e-10 5.753742e-10 5.497651e-10 5.311588000000001e-10 5.165365000000001e-10 5.044894e-10 4.942448e-10 4.853329e-10 4.774465000000001e-10 4.703737e-10 4.6396230000000003e-10 4.5809920000000006e-10 4.526977e-10 4.476907e-10 4.430242e-10 4.3865499999999997e-10 4.3454750000000004e-10 4.306719e-10 4.2700360000000003e-10 4.235215e-10 4.202076e-10 4.170464e-10 4.140245e-10 4.1113e-10 4.091595e-10 4.070857e-10 4.04897e-10 4.0258e-10 4.001188e-10 3.9749420000000004e-10 3.946829e-10 3.9165630000000003e-10 3.8837880000000004e-10 3.848048e-10 3.808753e-10 3.765119e-10 3.716066e-10 3.6600540000000004e-10 3.594777e-10 3.516552e-10 3.418938e-10 3.28904e-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" [ 1.55178 2.11838 2.53283 2.85915 3.12563 3.34791 3.64206 3.83127 3.98999 4.12865 4.24994 4.35596 4.44844 4.52878 4.59816 4.65757 4.70785 4.74976 4.78392 4.81088 4.83116 4.84518 4.85333 4.85598 4.85471 4.85068 4.84341 4.83158 4.81425 4.79021 4.75776 4.71458 4.65755 4.5823 4.48264 4.34944 4.16876 3.91828 3.55995 3.02354 2.1638 0.623795 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.48622565710852e-19 3.39401893793292e-19 4.05804104389422e-19 4.5808633231010995e-19 5.00781135252942e-19 5.36394317473494e-19 5.835223431626039e-19 6.13837127254518e-19 6.39266874789366e-19 6.614826559964101e-19 6.809154563901959e-19 6.979017330638639e-19 7.127186625750959e-19 7.25590549652652e-19 7.367064511393439e-19 7.462249825219379e-19 7.542807266376899e-19 7.60995448910784e-19 7.66468484292528e-19 7.707879524977919e-19 7.740371667115439e-19 7.76283418352412e-19 7.775891923091219e-19 7.780137691171319e-19 7.778102926846139e-19 7.771646155011119e-19 7.75999833088194e-19 7.741044581301719e-19 7.7132788602345e-19 7.67476253395314e-19 7.62277190217984e-19 7.553589915123719e-19 7.462217781686699e-19 7.3416539899782e-19 7.1819810666337595e-19 6.96857113898496e-19 6.679089864753839e-19 6.27777666146952e-19 5.7036687082083e-19 4.844245139964359e-19 3.4667898006492e-19 9.994297734060299e-20 ] } }