{ "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" [ [ 0.5 0.241519 0.75 ] [ 0.5 0.758481 0.25 ] [ 0 0.741519 0.75 ] [ 0 0.258481 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.960264 0.75 ] [ 0.5 0.039736 0.25 ] [ 0 0.460264 0.75 ] [ 0 0.539736 0.25 ] [ 0.5 0.88172 0.936902 ] [ 0.5 0.11828 0.063098 ] [ 0.5 0.11828 0.436902 ] [ 0.5 0.88172 0.563098 ] [ 0 0.054237 0.75 ] [ 0 0.945763 0.25 ] [ 0 0.38172 0.936902 ] [ 0 0.61828 0.063098 ] [ 0 0.61828 0.436902 ] [ 0 0.38172 0.563098 ] [ 0.5 0.554237 0.75 ] [ 0.5 0.445763 0.25 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Sm" "Sm" "Sm" "Sm" "Zn" "Zn" "Zn" "Zn" "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" 4.23970339 "source-unit" "angstrom" } "b" { "source-value" 16.2339953 "source-unit" "angstrom" } "c" { "source-value" 11.23277307 "source-unit" "angstrom" } }