{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pa3" } "basis-atom-coordinates" { "source-value" [ [ 0.628779 0.628779 0.628779 ] [ 0.871221 0.371221 0.128779 ] [ 0.128779 0.871221 0.371221 ] [ 0.371221 0.128779 0.871221 ] [ 0.371221 0.371221 0.371221 ] [ 0.128779 0.628779 0.871221 ] [ 0.871221 0.128779 0.628779 ] [ 0.628779 0.871221 0.128779 ] [ 0.154883 0.154883 0.154883 ] [ 0.345117 0.845117 0.654883 ] [ 0.654883 0.345117 0.845117 ] [ 0.845117 0.654883 0.345117 ] [ 0.845117 0.845117 0.845117 ] [ 0.654883 0.154883 0.345117 ] [ 0.345117 0.654883 0.154883 ] [ 0.154883 0.345117 0.654883 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.93163236 "source-unit" "angstrom" } }