{ "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" [ [ 0.5 0 0 ] [ 0 0 0.187467 ] [ 0 0 0.812533 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.687467 ] [ 0.5 0.5 0.312533 ] [ 0.5 0.5 0.136421 ] [ 0.5 0.5 0.863579 ] [ 0 0.5 0.065545 ] [ 0 0.5 0.934455 ] [ 0 0 0.636421 ] [ 0 0 0.363579 ] [ 0.5 0 0.565545 ] [ 0.5 0 0.434455 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "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" 2.98111509075 "source-unit" "angstrom" } "b" { "source-value" 3.04294981877 "source-unit" "angstrom" } "c" { "source-value" 13.2270478136 "source-unit" "angstrom" } }