{ "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" [ "Ba" "Ba" ] } "a" { "source-value" [ 7.09943 6.623741 6.328928 6.114731 5.946398 5.807711 5.689774 5.587179 5.49639 5.414968 5.34116 5.273662 5.211481 5.153839 5.100119 5.04982 5.002533 4.957918 4.915689 4.875602 4.837452 4.80106 4.766271 4.73295 4.710266 4.686391 4.661195 4.634522 4.606189 4.575974 4.54361 4.508768 4.471036 4.429892 4.384657 4.334425 4.277954 4.213473 4.138327 4.048274 3.9359 3.78636 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.099430000000001e-10 6.623741e-10 6.328928e-10 6.114731e-10 5.946398000000001e-10 5.807711000000001e-10 5.689774e-10 5.587179e-10 5.49639e-10 5.414968000000001e-10 5.341160000000001e-10 5.273662e-10 5.211481e-10 5.153838999999999e-10 5.100119000000001e-10 5.049820000000001e-10 5.002533e-10 4.957918000000001e-10 4.915689000000001e-10 4.875602e-10 4.837452e-10 4.80106e-10 4.766270999999999e-10 4.73295e-10 4.710266e-10 4.686391000000001e-10 4.661195000000001e-10 4.6345219999999996e-10 4.6061889999999997e-10 4.5759740000000005e-10 4.5436100000000003e-10 4.508768e-10 4.471036e-10 4.429892e-10 4.384657e-10 4.334425000000001e-10 4.2779540000000004e-10 4.2134729999999996e-10 4.1383270000000004e-10 4.0482740000000004e-10 3.9359000000000003e-10 3.78636e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 2.44924 3.66571 4.73735 5.71873 6.63107 7.48749 8.29312 9.05051 9.76204 10.4292 11.0536 11.6347 12.1724 12.6681 13.1216 13.5321 13.8974 14.2169 14.4897 14.7149 14.8918 15.02 15.0977 15.1239 15.1107 15.0664 14.9825 14.8472 14.6449 14.3542 13.945 13.3755 12.585 11.4836 9.93348 7.71384 4.45648 -0.490671 -8.38959 -21.9244 -47.7346 -106.523 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.924115066728192e-19 5.873114860632768e-19 7.590071414546881e-19 9.162415506667584e-19 1.0624145324888257e-18 1.1996281426473794e-18 1.3287042977488897e-18 1.4500515528316608e-18 1.5640512259314435e-18 1.670942041364736e-18 1.770981949567488e-18 1.864084433002176e-18 1.9502334699025922e-18 2.0296533649956482e-18 2.1023120747489283e-18 2.168081425032768e-18 2.226608936990592e-18 2.2777984800251524e-18 2.321505858240576e-18 2.357586875740992e-18 2.3859293801629443e-18 2.4064692844416e-18 2.418918196785216e-18 2.423115899531712e-18 2.421001026392256e-18 2.413903383962112e-18 2.4004611221136003e-18 2.3787836724341763e-18 2.346371639395392e-18 2.299796365028736e-18 2.2342352977056003e-18 2.1429913391510403e-18 2.0163392772768e-18 1.839875544261888e-18 1.5915189419184383e-18 1.2358934104591874e-18 7.1400680670627845e-19 -7.861416047045568e-20 -1.3441604956097473e-18 -3.512676110506752e-18 -7.647926012323969e-18 -1.706686601774784e-17 ] } }