{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.5 0.132346 ] [ 0.25 0 0.3689 ] [ 0.75 0 0.6311 ] [ 0.75 0.5 0.867654 ] [ 0.75 0.5 0.425767 ] [ 0.25 0.5 0.574233 ] [ 0 0 0 ] [ 0.5 0 0 ] [ 0.75 0.20746 0.215858 ] [ 0.75 0.79254 0.215858 ] [ 0.25 0.20746 0.784142 ] [ 0.25 0.79254 0.784142 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Tl" "Tl" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.82730838 "source-unit" "angstrom" } "b" { "source-value" 6.97190951 "source-unit" "angstrom" } "c" { "source-value" 9.29227607 "source-unit" "angstrom" } }