{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.204509 0.795491 0.845253 ] [ 0.795491 0.204509 0.845253 ] [ 0.795491 0.795491 0.654747 ] [ 0.204509 0.204509 0.654747 ] [ 0.280278 0.719722 0.5 ] [ 0.719722 0.719722 0 ] [ 0.280278 0.280278 0 ] [ 0.719722 0.280278 0.5 ] [ 0.204509 0.204509 0.345253 ] [ 0.204509 0.795491 0.154747 ] [ 0.795491 0.204509 0.154747 ] [ 0.795491 0.795491 0.345253 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "F" "F" "F" "F" "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" 5.38337367 "source-unit" "angstrom" } "c" { "source-value" 9.21170739 "source-unit" "angstrom" } }