{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.5 0.210637 ] [ 0.25 0 0.289363 ] [ 0.75 0 0.710637 ] [ 0.75 0.5 0.789363 ] [ 0.25 0.288492 0.588105 ] [ 0.25 0.211508 0.911895 ] [ 0.75 0.211508 0.088105 ] [ 0.75 0.288492 0.411895 ] [ 0.75 0.788492 0.088105 ] [ 0.75 0.711508 0.411895 ] [ 0.25 0.711508 0.588105 ] [ 0.25 0.788492 0.911895 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.68792667609 "source-unit" "angstrom" } "b" { "source-value" 7.1374828787 "source-unit" "angstrom" } "c" { "source-value" 8.30506048855 "source-unit" "angstrom" } }