{ "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 0.972053 0.75 ] [ 0.5 0.027947 0.25 ] [ 0 0.472053 0.75 ] [ 0 0.527947 0.25 ] [ 0.5 0.18546 0.25 ] [ 0.5 0.81454 0.75 ] [ 0 0.928112 0.25 ] [ 0 0.071888 0.75 ] [ 0 0.68546 0.25 ] [ 0 0.31454 0.75 ] [ 0.5 0.428112 0.25 ] [ 0.5 0.571888 0.75 ] [ 0 0.191222 0.75 ] [ 0 0.808778 0.25 ] [ 0.5 0.691222 0.75 ] [ 0.5 0.308778 0.25 ] ] } "species" { "source-value" [ "B" "B" "B" "B" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.11537913353 "source-unit" "angstrom" } "b" { "source-value" 17.5405986581 "source-unit" "angstrom" } "c" { "source-value" 3.07699773 "source-unit" "angstrom" } }