{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.329514 0.867776 ] [ 0.5 0.670486 0.132224 ] [ 0 0.170486 0.367776 ] [ 0 0.829514 0.632224 ] ] } "species" { "source-value" [ "Fe" "Fe" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.72175865 "source-unit" "angstrom" } "b" { "source-value" 4.95981561 "source-unit" "angstrom" } "c" { "source-value" 5.64546987 "source-unit" "angstrom" } }