{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im2m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.492845 0 ] [ 0 0.992845 0.5 ] [ 0 0.026715 0.109494 ] [ 0 0.023484 0.302657 ] [ 0 0.026715 0.890506 ] [ 0.5 0.523484 0.197343 ] [ 0.5 0.526715 0.609494 ] [ 0.5 0.523484 0.802657 ] [ 0.5 0.526715 0.390506 ] [ 0 0.023484 0.697343 ] [ 0.5 0.272579 0.106937 ] [ 0 0.106887 0 ] [ 0.5 0.272579 0.893063 ] [ 0.5 0.266848 0.300141 ] [ 0.5 0.773548 0.097863 ] [ 0 0.275409 0.202888 ] [ 0.5 0.773548 0.902137 ] [ 0 0.766848 0.199859 ] [ 0.5 0.775409 0.297112 ] [ 0 0.772579 0.606937 ] [ 0.5 0.606887 0.5 ] [ 0 0.772579 0.393063 ] [ 0 0.766848 0.800141 ] [ 0 0.273548 0.597863 ] [ 0.5 0.775409 0.702888 ] [ 0 0.273548 0.402137 ] [ 0.5 0.266848 0.699859 ] [ 0 0.275409 0.797112 ] ] } "species" { "source-value" [ "Sm" "Sm" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.57455849 "source-unit" "angstrom" } "b" { "source-value" 5.24601878 "source-unit" "angstrom" } "c" { "source-value" 18.85608988 "source-unit" "angstrom" } }