{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.98881 0.311564 ] [ 0.25 0.01119 0.688436 ] [ 0.75 0.48881 0.188436 ] [ 0.25 0.51119 0.811564 ] [ 0.75 0.833631 0.922316 ] [ 0.25 0.166369 0.077684 ] [ 0.75 0.333631 0.577684 ] [ 0.25 0.666369 0.422316 ] [ 0.75 0.703895 0.601553 ] [ 0.25 0.296105 0.398447 ] [ 0.75 0.203895 0.898447 ] [ 0.25 0.796105 0.101553 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ga" "Ga" "Ga" "Ga" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.47055608 "source-unit" "angstrom" } "b" { "source-value" 7.17434425 "source-unit" "angstrom" } "c" { "source-value" 7.62183199 "source-unit" "angstrom" } }