{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2ce" } "basis-atom-coordinates" { "source-value" [ [ 0 0.022521 0 ] [ 0 0.522521 0.5 ] [ 0.5 0.522521 0 ] [ 0.5 0.022521 0.5 ] [ 0.757471 0.783863 0.735227 ] [ 0.242529 0.783863 0.264773 ] [ 0.257471 0.783863 0.764773 ] [ 0.742529 0.783863 0.235227 ] [ 0.257471 0.283863 0.735227 ] [ 0.742529 0.283863 0.264773 ] [ 0.757471 0.283863 0.764773 ] [ 0.242529 0.283863 0.235227 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.00409919 "source-unit" "angstrom" } "b" { "source-value" 6.02256997 "source-unit" "angstrom" } "c" { "source-value" 6.02405622 "source-unit" "angstrom" } }