{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.81584 ] [ 0 0 0.18416 ] [ 0.5 0.5 0.31584 ] [ 0.5 0.5 0.68416 ] [ 0 0.5 0.925704 ] [ 0 0.5 0.074296 ] [ 0.5 0.5 0.847519 ] [ 0.5 0.5 0.152481 ] [ 0.5 0 0.425704 ] [ 0.5 0 0.574296 ] [ 0 0 0.347519 ] [ 0 0 0.652481 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "B" "B" "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" 2.98711662129 "source-unit" "angstrom" } "b" { "source-value" 3.09851329731 "source-unit" "angstrom" } "c" { "source-value" 12.5968665548 "source-unit" "angstrom" } }