{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.208266 0.427923 ] [ 0 0.791734 0.927923 ] [ 0 0.791734 0.572077 ] [ 0 0.208266 0.072077 ] [ 0.5 0.23698 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0.76302 0.25 ] [ 0.5 0.5 0.5 ] [ 0.5 0.261321 0.516693 ] [ 0.5 0.738679 0.483307 ] [ 0.5 0.261321 0.983307 ] [ 0.5 0.738679 0.016693 ] [ 0 0.537424 0.75 ] [ 0 0.995375 0.25 ] [ 0 0.462576 0.25 ] [ 0 0.004625 0.75 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Hg" "Hg" "Hg" "Hg" "S" "S" "S" "S" "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" 4.68547435 "source-unit" "angstrom" } "b" { "source-value" 10.16108337 "source-unit" "angstrom" } "c" { "source-value" 10.3708841 "source-unit" "angstrom" } }