{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcnb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.824058 ] [ 0 0.25 0.675942 ] [ 0.5 0.25 0.175942 ] [ 0 0.75 0.324058 ] [ 0.266591 0.427704 0.903543 ] [ 0.766591 0.572296 0.596457 ] [ 0.233409 0.927704 0.596457 ] [ 0.733409 0.072296 0.903543 ] [ 0.266591 0.927704 0.096457 ] [ 0.766591 0.072296 0.403543 ] [ 0.233409 0.427704 0.403543 ] [ 0.733409 0.572296 0.096457 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.10077067 "source-unit" "angstrom" } "b" { "source-value" 5.5784731 "source-unit" "angstrom" } "c" { "source-value" 6.07261617 "source-unit" "angstrom" } }