{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pncm" } "basis-atom-coordinates" { "source-value" [ [ 0.697708 0.25 0.75 ] [ 0.302292 0.75 0.25 ] [ 0.302292 0.75 0.75 ] [ 0.697708 0.25 0.25 ] [ 0.385662 0.369795 0.621132 ] [ 0.614338 0.869795 0.878868 ] [ 0.600801 0.261043 0 ] [ 0.614338 0.869795 0.121132 ] [ 0.399199 0.738957 0 ] [ 0.614338 0.630205 0.621132 ] [ 0.385662 0.369795 0.378868 ] [ 0.600801 0.238957 0.5 ] [ 0.399199 0.761043 0.5 ] [ 0.614338 0.630205 0.378868 ] [ 0.385662 0.130205 0.121132 ] [ 0.385662 0.130205 0.878868 ] [ 0 0.5 0.165775 ] [ 0 0 0.334225 ] [ 0 0 0.665775 ] [ 0 0.5 0.834225 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.1015974 "source-unit" "angstrom" } "b" { "source-value" 8.25125816 "source-unit" "angstrom" } "c" { "source-value" 15.05008984 "source-unit" "angstrom" } }