{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcm" } "basis-atom-coordinates" { "source-value" [ [ 0.143026 0.606865 0.098438 ] [ 0.143026 0.893135 0.901562 ] [ 0.856974 0.106865 0.401562 ] [ 0.856974 0.393135 0.598438 ] [ 0.856974 0.393135 0.901562 ] [ 0.856974 0.106865 0.098438 ] [ 0.143026 0.893135 0.598438 ] [ 0.143026 0.606865 0.401562 ] [ 0.370924 0.257277 0.25 ] [ 0.370924 0.242723 0.75 ] [ 0.629076 0.757277 0.25 ] [ 0.629076 0.742723 0.75 ] [ 0.378043 0.25 0 ] [ 0.621957 0.75 0.5 ] [ 0.621957 0.75 0 ] [ 0.378043 0.25 0.5 ] [ 0.858142 0.408352 0.25 ] [ 0.858142 0.091648 0.75 ] [ 0.141858 0.908352 0.25 ] [ 0.141858 0.591648 0.75 ] [ 0.639009 0.468467 0.09408 ] [ 0.639009 0.031533 0.90592 ] [ 0.360991 0.968467 0.40592 ] [ 0.360991 0.531533 0.59408 ] [ 0.360991 0.531533 0.90592 ] [ 0.360991 0.968467 0.09408 ] [ 0.639009 0.031533 0.59408 ] [ 0.639009 0.468467 0.40592 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Pt" "Pt" "Pt" "Pt" "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" 5.80857676 "source-unit" "angstrom" } "b" { "source-value" 7.92890988 "source-unit" "angstrom" } "c" { "source-value" 13.91376711 "source-unit" "angstrom" } }