{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3" } "basis-atom-coordinates" { "source-value" [ [ 0.224301 0.869042 0.753621 ] [ 0.869042 0.644741 0.253621 ] [ 0.355259 0.224301 0.253621 ] [ 0.644741 0.775699 0.753621 ] [ 0.775699 0.130958 0.253621 ] [ 0.130958 0.355259 0.753621 ] [ 0 0 0.717226 ] [ 0 0 0.217226 ] [ 0.666667 0.333333 0.835436 ] [ 0.333333 0.666667 0.335436 ] [ 0.741352 0.837782 0.231162 ] [ 0.90357 0.741352 0.731162 ] [ 0.666667 0.333333 0.450494 ] [ 0.903634 0.421143 0.998598 ] [ 0.578857 0.482491 0.998598 ] [ 0.421143 0.517509 0.498598 ] [ 0.09643 0.258648 0.231162 ] [ 0.837782 0.09643 0.731162 ] [ 0.517509 0.096366 0.998598 ] [ 0.162218 0.90357 0.231162 ] [ 0.482491 0.903634 0.498598 ] [ 0.333333 0.666667 0.950494 ] [ 0.258648 0.162218 0.731162 ] [ 0.096366 0.578857 0.498598 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Cu" "Cu" "Ge" "Ge" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" 10.5339431965 "source-unit" "angstrom" } "c" { "source-value" 6.12375733 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.24106721875 "source-unit" "eV" } }