{ "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" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" ] } "a" { "source-value" [ 12.1345 11.321446 10.817548 10.451439 10.163722 9.926676 9.725097 9.54974 9.394562 9.255395 9.129241 9.013873 8.907592 8.80907 8.71725 8.631279 8.550456 8.474199 8.402019 8.333503 8.268297 8.206095 8.146633 8.08968 8.050907 8.0101 7.967034 7.921444 7.873016 7.821372 7.766055 7.706501 7.642009 7.571685 7.494367 7.408509 7.311988 7.201774 7.073332 6.919411 6.727337 6.47174 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.21345e-09 1.1321446e-09 1.0817548e-09 1.0451439000000002e-09 1.0163722e-09 9.926676000000001e-10 9.725097e-10 9.54974e-10 9.394562e-10 9.255395e-10 9.129241000000001e-10 9.013873000000001e-10 8.907592e-10 8.809070000000001e-10 8.71725e-10 8.631278999999999e-10 8.550456000000001e-10 8.474199000000001e-10 8.402018999999999e-10 8.333503e-10 8.268297e-10 8.206095e-10 8.146633e-10 8.08968e-10 8.050907000000001e-10 8.0101e-10 7.967034e-10 7.921444000000001e-10 7.873016000000001e-10 7.821372000000001e-10 7.766055e-10 7.706501000000001e-10 7.642009e-10 7.571685e-10 7.494367e-10 7.408509e-10 7.311988e-10 7.201774000000001e-10 7.073332e-10 6.919411e-10 6.727337000000001e-10 6.47174e-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" [ 0.0366292 0.108195 0.177719 0.237141 0.286409 0.327073 0.360743 0.388752 0.412147 0.431731 0.448126 0.461814 0.473172 0.482503 0.490047 0.496002 0.50057 0.504689 0.507883 0.510279 0.511988 0.513107 0.513724 0.513914 0.513828 0.513558 0.513082 0.512375 0.511412 0.510161 0.508589 0.506656 0.504313 0.501496 0.498111 0.493998 0.488852 0.483368 0.476453 0.466065 0.446604 0.398289 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.868644787860736e-21 1.73347499487456e-20 2.847372268719552e-20 3.799417660331328e-20 4.588778037867073e-20 5.240287138949184e-20 5.779740007172544e-20 6.228493656892416e-20 6.603322877328576e-20 6.917093146746047e-20 7.179770003726209e-20 7.399075939581312e-20 7.581051160171776e-20 7.730550260658624e-20 7.851418464931776e-20 7.946828082700416e-20 8.020015510738559e-20 8.086009165749313e-20 8.137182687017664e-20 8.175570838852033e-20 8.202952037301505e-20 8.220880393688256e-20 8.230765823438592e-20 8.233809959018112e-20 8.232432087124223e-20 8.228106210248063e-20 8.220479849533057e-20 8.209152460824e-20 8.193723499965696e-20 8.173680270439488e-20 8.148494053960512e-20 8.117523979880448e-20 8.079984981655105e-20 8.034851666247169e-20 7.980617987633089e-20 7.914720463219584e-20 7.832272454313217e-20 7.744409088428545e-20 7.633618575100225e-20 7.46718446773152e-20 7.155384875557632e-20 6.381293241218112e-20 ] } }