{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I222" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.292701 ] [ 0 0.5 0.207299 ] [ 0 0.5 0.792701 ] [ 0.5 0 0.707299 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.693037 0.309651 0.161914 ] [ 0.306963 0.690349 0.161914 ] [ 0.806963 0.809651 0.338086 ] [ 0.193037 0.190349 0.338086 ] [ 0.193037 0.809651 0.661914 ] [ 0.806963 0.190349 0.661914 ] [ 0.306963 0.309651 0.838086 ] [ 0.693037 0.690349 0.838086 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ag" "Ag" "Ag" "Ag" "Ge" "Ge" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.12924336136 "source-unit" "angstrom" } "b" { "source-value" 7.37008611661 "source-unit" "angstrom" } "c" { "source-value" 8.48869409441 "source-unit" "angstrom" } }