{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.79203 0 ] [ 0.5 0.20797 0 ] [ 0 0 0.738949 ] [ 0 0 0.261051 ] [ 0.5 0 0.5 ] [ 0 0.29203 0.5 ] [ 0 0.70797 0.5 ] [ 0.5 0.5 0.238949 ] [ 0.5 0.5 0.761051 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Al" "Al" "Fe" "Fe" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.60811363455 "source-unit" "angstrom" } "b" { "source-value" 6.31659848138 "source-unit" "angstrom" } "c" { "source-value" 7.57426612445 "source-unit" "angstrom" } }