{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Ti" "Ti" ] } "a" { "source-value" [ 4.88862 4.561064 4.358059 4.210564 4.094651 3.999152 3.917942 3.847296 3.784779 3.728712 3.677889 3.63141 3.588593 3.548901 3.51191 3.477274 3.444713 3.413991 3.384912 3.357309 3.33104 3.30598 3.282025 3.25908 3.24346 3.22702 3.20967 3.191303 3.171792 3.150987 3.128701 3.104709 3.078727 3.050395 3.019246 2.984656 2.945771 2.901369 2.849623 2.787613 2.710233 2.60726 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.88862e-10 4.5610640000000003e-10 4.358059e-10 4.210564e-10 4.0946509999999997e-10 3.999152e-10 3.917942e-10 3.847296e-10 3.784779e-10 3.728712e-10 3.677889e-10 3.63141e-10 3.588593e-10 3.548901e-10 3.51191e-10 3.477274e-10 3.444713e-10 3.4139910000000005e-10 3.384912e-10 3.357309e-10 3.33104e-10 3.30598e-10 3.282025e-10 3.25908e-10 3.24346e-10 3.22702e-10 3.20967e-10 3.191303e-10 3.171792e-10 3.1509870000000003e-10 3.128701e-10 3.1047090000000004e-10 3.0787270000000003e-10 3.050395e-10 3.019246e-10 2.9846560000000005e-10 2.9457710000000004e-10 2.901369e-10 2.849623e-10 2.787613e-10 2.7102330000000003e-10 2.60726e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.628 2.1868 2.59475 2.91655 3.18051 3.40209 3.59088 3.75332 3.89395 4.01617 4.12256 4.21516 4.2956 4.36522 4.42514 4.47627 4.51943 4.55528 4.58442 4.60737 4.62458 4.63645 4.64334 4.64557 4.6445 4.64099 4.63452 4.62441 4.60984 4.58972 4.56262 4.52666 4.4793 4.41699 4.33473 4.22516 4.07711 3.87273 3.58183 3.14893 2.46016 1.23825 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.6083435601519995e-19 3.5036398632311994e-19 4.1572478210714997e-19 4.6728282618927e-19 5.09573880620334e-19 5.450749104765059e-19 5.75322403149792e-19 6.01348160392488e-19 6.238795703964299e-19 6.434613732171779e-19 6.60506930426304e-19 6.75343086057144e-19 6.8823099490104e-19 6.993853486269479e-19 7.08985591017876e-19 7.17177520147518e-19 7.240925144998619e-19 7.298363177327519e-19 7.345050604442279e-19 7.38182055819258e-19 7.40939401806372e-19 7.4284118547093e-19 7.43945085171756e-19 7.44302370561138e-19 7.441309376613e-19 7.43568573662766e-19 7.42531965380568e-19 7.40912164803594e-19 7.38577793447856e-19 7.353542140602479e-19 7.310123153821079e-19 7.252508882062439e-19 7.1766297966762e-19 7.07679817061166e-19 6.9450031206988205e-19 6.769452626911439e-19 6.53225037624774e-19 6.20479751579082e-19 5.73872433296022e-19 5.04514206810162e-19 3.94161086790144e-19 1.9838952170505e-19 ] } }