{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.006927 0.523862 0.25 ] [ 0.493073 0.023862 0.25 ] [ 0.506927 0.976138 0.75 ] [ 0.993073 0.476138 0.75 ] [ 0.077229 0.015782 0.75 ] [ 0.211509 0.287512 0.040192 ] [ 0.211509 0.287512 0.459808 ] [ 0.288491 0.787512 0.040192 ] [ 0.288491 0.787512 0.459808 ] [ 0.422771 0.515782 0.75 ] [ 0.577229 0.484218 0.25 ] [ 0.711509 0.212488 0.540192 ] [ 0.711509 0.212488 0.959808 ] [ 0.788491 0.712488 0.540192 ] [ 0.788491 0.712488 0.959808 ] [ 0.922771 0.984218 0.25 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Pb" "Pb" "Pb" "Pb" "O" "O" "O" "O" "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" 5.88932536 "source-unit" "angstrom" } "b" { "source-value" 5.92741979 "source-unit" "angstrom" } "c" { "source-value" 8.35430859 "source-unit" "angstrom" } }