{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Im3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0 0.849072 0.651264 ] [ 0 0.150928 0.651264 ] [ 0 0.849072 0.348736 ] [ 0.150928 0.348736 0 ] [ 0.348736 0 0.150928 ] [ 0 0.150928 0.348736 ] [ 0.849072 0.348736 0 ] [ 0.651264 0 0.150928 ] [ 0.849072 0.651264 0 ] [ 0.348736 0 0.849072 ] [ 0.150928 0.651264 0 ] [ 0.651264 0 0.849072 ] [ 0.5 0.349072 0.151264 ] [ 0.5 0.650928 0.151264 ] [ 0.5 0.349072 0.848736 ] [ 0.650928 0.848736 0.5 ] [ 0.848736 0.5 0.650928 ] [ 0.5 0.650928 0.848736 ] [ 0.349072 0.848736 0.5 ] [ 0.151264 0.5 0.650928 ] [ 0.349072 0.151264 0.5 ] [ 0.848736 0.5 0.349072 ] [ 0.650928 0.151264 0.5 ] [ 0.151264 0.5 0.349072 ] ] } "species" { "source-value" [ "U" "U" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "a" { "source-value" 7.7665675547 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.018095311176471 "source-unit" "eV" } }