{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.749712 0.882752 ] [ 0.25 0.250288 0.117248 ] [ 0.75 0.249712 0.617248 ] [ 0.25 0.750288 0.382752 ] [ 0.75 0.139433 0.929221 ] [ 0.25 0.860567 0.070779 ] [ 0.75 0.639433 0.570779 ] [ 0.25 0.360567 0.429221 ] [ 0.75 0.027573 0.335017 ] [ 0.25 0.972427 0.664983 ] [ 0.75 0.527573 0.164983 ] [ 0.25 0.472427 0.835017 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.29954429 "source-unit" "angstrom" } "b" { "source-value" 7.27797425 "source-unit" "angstrom" } "c" { "source-value" 8.6500096 "source-unit" "angstrom" } }