{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3cm" } "basis-atom-coordinates" { "source-value" [ [ 0.331976 0.331976 0.26346 ] [ 0.668024 0.668024 0.76346 ] [ 0 0.668024 0.26346 ] [ 0.668024 0 0.26346 ] [ 0.331976 0 0.76346 ] [ 0 0.331976 0.76346 ] [ 0 0 0.998009 ] [ 0 0 0.498009 ] [ 0.333333 0.666667 0.053782 ] [ 0.666667 0.333333 0.553782 ] [ 0.333333 0.666667 0.553782 ] [ 0.666667 0.333333 0.053782 ] [ 0.508132 0.334249 0.80445 ] [ 0.491868 0.665751 0.30445 ] [ 0.334249 0.826117 0.30445 ] [ 0.173883 0.508132 0.30445 ] [ 0.826117 0.491868 0.80445 ] [ 0 0.159203 0.247116 ] [ 0.159203 0 0.247116 ] [ 0.159203 0.159203 0.747116 ] [ 0 0.840797 0.747116 ] [ 0.508132 0.173883 0.30445 ] [ 0.840797 0.840797 0.247116 ] [ 0.840797 0 0.747116 ] [ 0.491868 0.826117 0.80445 ] [ 0.334249 0.508132 0.80445 ] [ 0.173883 0.665751 0.80445 ] [ 0.826117 0.334249 0.30445 ] [ 0.665751 0.491868 0.30445 ] [ 0.665751 0.173883 0.80445 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "V" "V" "V" "V" "V" "V" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "a" { "source-value" 13.0722972089 "source-unit" "angstrom" } "c" { "source-value" 6.55779984 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.218295382333333 "source-unit" "eV" } }