{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnca" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0.899618 ] [ 0.75 0.5 0.600382 ] [ 0.75 0 0.100382 ] [ 0.25 0.5 0.399618 ] [ 0.25 0 0.339109 ] [ 0.387193 0.694409 0.096833 ] [ 0.612807 0.194409 0.403167 ] [ 0.112807 0.305591 0.096833 ] [ 0.612807 0.305591 0.903167 ] [ 0.112807 0.194409 0.596833 ] [ 0.387193 0.805591 0.596833 ] [ 0.887193 0.694409 0.903167 ] [ 0.75 0 0.660891 ] [ 0.25 0.5 0.839109 ] [ 0.887193 0.805591 0.403167 ] [ 0.75 0.5 0.160891 ] [ 0.987592 0.319735 0.831372 ] [ 0.487592 0.180265 0.668628 ] [ 0.012408 0.819735 0.668628 ] [ 0.512408 0.680265 0.831372 ] [ 0.987592 0.180265 0.331372 ] [ 0.487592 0.319735 0.168628 ] [ 0.012408 0.680265 0.168628 ] [ 0.512408 0.819735 0.331372 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "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" 6.94929367 "source-unit" "angstrom" } "b" { "source-value" 8.87065447 "source-unit" "angstrom" } "c" { "source-value" 8.95624882 "source-unit" "angstrom" } }