{ "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 0.894051 0.25 ] [ 0 0.105949 0.75 ] [ 0.5 0.394051 0.25 ] [ 0.5 0.605949 0.75 ] [ 0.5 0.865543 0.938514 ] [ 0.5 0.134457 0.438514 ] [ 0.5 0.865543 0.561486 ] [ 0.5 0.134457 0.061486 ] [ 0 0.365543 0.938514 ] [ 0 0.634457 0.438514 ] [ 0 0.365543 0.561486 ] [ 0 0.634457 0.061486 ] [ 0 0.83535 0.75 ] [ 0 0.16465 0.25 ] [ 0.5 0.33535 0.75 ] [ 0.5 0.66465 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.075798 0.25 ] [ 0.5 0.924202 0.75 ] [ 0.5 0.759994 0.387227 ] [ 0.5 0.240006 0.887227 ] [ 0.5 0.240006 0.612773 ] [ 0.5 0.759994 0.112773 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.575798 0.25 ] [ 0 0.424202 0.75 ] [ 0 0.259994 0.387227 ] [ 0 0.740006 0.887227 ] [ 0 0.740006 0.612773 ] [ 0 0.259994 0.112773 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "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" 4.09609088 "source-unit" "angstrom" } "b" { "source-value" 14.1669716 "source-unit" "angstrom" } "c" { "source-value" 14.08177704 "source-unit" "angstrom" } }