{ "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 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.123349 0.25 ] [ 0.5 0.876651 0.75 ] [ 0.5 0.845801 0.25 ] [ 0.5 0.154199 0.75 ] [ 0 0.159098 0.889441 ] [ 0 0.840902 0.389441 ] [ 0 0.840902 0.110559 ] [ 0 0.159098 0.610559 ] [ 0 0.623349 0.25 ] [ 0 0.376651 0.75 ] [ 0 0.345801 0.25 ] [ 0 0.654199 0.75 ] [ 0.5 0.659098 0.889441 ] [ 0.5 0.340902 0.389441 ] [ 0.5 0.340902 0.110559 ] [ 0.5 0.659098 0.610559 ] [ 0 0.19971 0.10708 ] [ 0 0.016402 0.75 ] [ 0 0.983598 0.25 ] [ 0 0.80029 0.89292 ] [ 0 0.80029 0.60708 ] [ 0 0.19971 0.39292 ] [ 0.5 0.69971 0.10708 ] [ 0.5 0.516402 0.75 ] [ 0.5 0.483598 0.25 ] [ 0.5 0.30029 0.89292 ] [ 0.5 0.30029 0.60708 ] [ 0.5 0.69971 0.39292 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.92136945 "source-unit" "angstrom" } "b" { "source-value" 11.91553608 "source-unit" "angstrom" } "c" { "source-value" 9.80732208 "source-unit" "angstrom" } }