{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0.146361 0.5 ] [ 0.5 0.853639 0.5 ] [ 0 0.646361 0.5 ] [ 0 0.353639 0.5 ] [ 0 0.793604 0 ] [ 0 0.206396 0 ] [ 0.5 0.293604 0 ] [ 0.5 0.706396 0 ] ] } "species" { "source-value" [ "Al" "Al" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.91523286708 "source-unit" "angstrom" } "b" { "source-value" 11.0117210227 "source-unit" "angstrom" } "c" { "source-value" 2.8631144 "source-unit" "angstrom" } }