{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.006716 0.954585 0.75 ] [ 0.493284 0.454585 0.75 ] [ 0.506716 0.545415 0.25 ] [ 0.993284 0.045415 0.25 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.785984 0.797952 0.463324 ] [ 0.714016 0.297952 0.036676 ] [ 0.285984 0.702048 0.536676 ] [ 0.214016 0.202048 0.963324 ] [ 0.214016 0.202048 0.536676 ] [ 0.285984 0.702048 0.963324 ] [ 0.714016 0.297952 0.463324 ] [ 0.785984 0.797952 0.036676 ] [ 0.922534 0.516642 0.75 ] [ 0.577466 0.016642 0.75 ] [ 0.077466 0.483358 0.25 ] [ 0.422534 0.983358 0.25 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "V" "V" "V" "V" "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" 5.33834393 "source-unit" "angstrom" } "b" { "source-value" 5.46467809 "source-unit" "angstrom" } "c" { "source-value" 7.71530924 "source-unit" "angstrom" } }