{ "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 0.893566 0.25 ] [ 0 0.106434 0.75 ] [ 0.5 0.393566 0.25 ] [ 0.5 0.606434 0.75 ] [ 0.5 0.865624 0.938246 ] [ 0.5 0.134376 0.438246 ] [ 0.5 0.865624 0.561754 ] [ 0.5 0.134376 0.061754 ] [ 0 0.365624 0.938246 ] [ 0 0.634376 0.438246 ] [ 0 0.365624 0.561754 ] [ 0 0.634376 0.061754 ] [ 0 0.835241 0.75 ] [ 0 0.164759 0.25 ] [ 0.5 0.335241 0.75 ] [ 0.5 0.664759 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.075527 0.25 ] [ 0.5 0.924473 0.75 ] [ 0.5 0.759916 0.388745 ] [ 0.5 0.240084 0.888745 ] [ 0.5 0.240084 0.611255 ] [ 0.5 0.759916 0.111255 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.575527 0.25 ] [ 0 0.424473 0.75 ] [ 0 0.259916 0.388745 ] [ 0 0.740084 0.888745 ] [ 0 0.740084 0.611255 ] [ 0 0.259916 0.111255 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.05288396 "source-unit" "angstrom" } "b" { "source-value" 14.01648682 "source-unit" "angstrom" } "c" { "source-value" 13.97038128 "source-unit" "angstrom" } }