{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmab" } "basis-atom-coordinates" { "source-value" [ [ 0 0.75 0.390659 ] [ 0.5 0.25 0.609341 ] [ 0 0.25 0.609341 ] [ 0.5 0.75 0.390659 ] [ 0.75 0.630697 0.685004 ] [ 0.25 0.369303 0.314996 ] [ 0.75 0.130697 0.314996 ] [ 0.25 0.869303 0.685004 ] [ 0.75 0.535499 0.114761 ] [ 0.25 0.464501 0.885239 ] [ 0.75 0.035499 0.885239 ] [ 0.25 0.964501 0.114761 ] [ 0 0.75 0.922446 ] [ 0.5 0.25 0.077554 ] [ 0 0.25 0.077554 ] [ 0.5 0.75 0.922446 ] [ 0.75 0.9494 0.593315 ] [ 0.25 0.0506 0.406685 ] [ 0.75 0.4494 0.406685 ] [ 0.25 0.5506 0.593315 ] [ 0.75 0.872307 0.148623 ] [ 0.25 0.127693 0.851377 ] [ 0.75 0.372307 0.851377 ] [ 0.25 0.627693 0.148623 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.58365035 "source-unit" "angstrom" } "b" { "source-value" 10.02366918 "source-unit" "angstrom" } "c" { "source-value" 10.95824624 "source-unit" "angstrom" } }