{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.928049 0.75 ] [ 0.5 0.071951 0.25 ] [ 0.5 0.202958 0.75 ] [ 0.5 0.797042 0.25 ] [ 0 0.428049 0.75 ] [ 0 0.571951 0.25 ] [ 0 0.702958 0.75 ] [ 0 0.297042 0.25 ] [ 0 0.023592 0.75 ] [ 0 0.976408 0.25 ] [ 0 0.118865 0.75 ] [ 0 0.881135 0.25 ] [ 0 0.82747 0.75 ] [ 0 0.17253 0.25 ] [ 0.5 0.523592 0.75 ] [ 0.5 0.476408 0.25 ] [ 0.5 0.618865 0.75 ] [ 0.5 0.381135 0.25 ] [ 0.5 0.32747 0.75 ] [ 0.5 0.67253 0.25 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "B" "B" "B" "B" "B" "B" "B" "B" "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" 2.93549376923 "source-unit" "angstrom" } "b" { "source-value" 18.1651402743 "source-unit" "angstrom" } "c" { "source-value" 2.95054632 "source-unit" "angstrom" } }