{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.342416 0.842415 0.5 ] [ 0.657585 0.157584 0.5 ] [ 0.842415 0.657585 0.5 ] [ 0.157584 0.342416 0.5 ] [ 0.642394 0.857606 0 ] [ 0.357606 0.142394 0 ] [ 0.857606 0.357606 0 ] [ 0.142394 0.642394 0 ] ] } "species" { "source-value" [ "Fe" "Fe" "B" "B" "B" "B" "Mo" "Mo" "Mo" "Mo" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.39517204 "source-unit" "angstrom" } "c" { "source-value" 2.82010891 "source-unit" "angstrom" } }