{ "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 0.894072 0.25 ] [ 0 0.105928 0.75 ] [ 0.5 0.394072 0.25 ] [ 0.5 0.605928 0.75 ] [ 0 0.24917 0.25 ] [ 0 0.75083 0.75 ] [ 0.5 0.963929 0.75 ] [ 0.5 0.036071 0.25 ] [ 0.5 0.74917 0.25 ] [ 0.5 0.25083 0.75 ] [ 0 0.463929 0.75 ] [ 0 0.536071 0.25 ] [ 0.5 0.819648 0.75 ] [ 0.5 0.180352 0.25 ] [ 0 0.319648 0.75 ] [ 0 0.680352 0.25 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 4.37158233757 "source-unit" "angstrom" } "b" { "source-value" 16.9354914438 "source-unit" "angstrom" } "c" { "source-value" 4.28866483 "source-unit" "angstrom" } }