{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.854161 0.662839 0.75 ] [ 0.145839 0.337161 0.25 ] [ 0.145839 0.662839 0.25 ] [ 0.854161 0.337161 0.75 ] [ 0.354161 0.162839 0.75 ] [ 0.645839 0.837161 0.25 ] [ 0.645839 0.162839 0.25 ] [ 0.354161 0.837161 0.75 ] [ 0.916852 0 0.75 ] [ 0.083148 0 0.25 ] [ 0.416852 0.5 0.75 ] [ 0.583148 0.5 0.25 ] [ 0.331413 0 0.25 ] [ 0.668587 0 0.75 ] [ 0 0.117855 0.5 ] [ 0 0.117855 0 ] [ 0 0.882145 0.5 ] [ 0 0.882145 0 ] [ 0.831413 0.5 0.25 ] [ 0.168587 0.5 0.75 ] [ 0.5 0.617855 0.5 ] [ 0.5 0.617855 0 ] [ 0.5 0.382145 0.5 ] [ 0.5 0.382145 0 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Zr" "Zr" "Zr" "Zr" "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" 7.83376204 "source-unit" "angstrom" } "b" { "source-value" 11.48929775 "source-unit" "angstrom" } "c" { "source-value" 6.02438192 "source-unit" "angstrom" } }