{ "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" [ [ 0.662646 0.156112 0.25 ] [ 0.337354 0.843888 0.75 ] [ 0.337354 0.156112 0.75 ] [ 0.662646 0.843888 0.25 ] [ 0.162646 0.656112 0.25 ] [ 0.837354 0.343888 0.75 ] [ 0.837354 0.656112 0.75 ] [ 0.162646 0.343888 0.25 ] [ 0.081828 0 0.25 ] [ 0.918172 0 0.75 ] [ 0.581828 0.5 0.25 ] [ 0.418172 0.5 0.75 ] [ 0.658489 0 0.75 ] [ 0.341511 0 0.25 ] [ 0 0.13532 0.5 ] [ 0 0.13532 0 ] [ 0 0.86468 0.5 ] [ 0 0.86468 0 ] [ 0.158489 0.5 0.75 ] [ 0.841511 0.5 0.25 ] [ 0.5 0.63532 0.5 ] [ 0.5 0.63532 0 ] [ 0.5 0.36468 0.5 ] [ 0.5 0.36468 0 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Zr" "Zr" "Zr" "Zr" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.63358245 "source-unit" "angstrom" } "b" { "source-value" 13.45964557 "source-unit" "angstrom" } "c" { "source-value" 7.22051035 "source-unit" "angstrom" } }