{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.622361 0.354302 0.879144 ] [ 0.377639 0.854302 0.620856 ] [ 0.877639 0.645698 0.379144 ] [ 0.122361 0.145698 0.120856 ] [ 0.43408 0.403459 0.226097 ] [ 0.117171 0.575114 0.058377 ] [ 0.56592 0.903459 0.273903 ] [ 0.617171 0.924886 0.941623 ] [ 0.06592 0.596541 0.726097 ] [ 0.382829 0.424886 0.558377 ] [ 0.882829 0.075114 0.441623 ] [ 0.93408 0.096541 0.773903 ] [ 0.987713 0.896706 0.48083 ] [ 0.172844 0.420651 0.659006 ] [ 0.012287 0.396706 0.01917 ] [ 0.827156 0.920651 0.840994 ] [ 0.512287 0.103294 0.98083 ] [ 0.487713 0.603294 0.51917 ] [ 0.327156 0.579349 0.159006 ] [ 0.672844 0.079349 0.340994 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "S" "S" "S" "S" "S" "S" "S" "S" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.46458937045 "source-unit" "angstrom" } "b" { "source-value" 7.83525276009 "source-unit" "angstrom" } "c" { "source-value" 12.5708143757 "source-unit" "angstrom" } }