{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/nmc" } "basis-atom-coordinates" { "source-value" [ [ 0.74915 0.74915 0.5 ] [ 0.25085 0.74915 0.5 ] [ 0.5 0 0.963986 ] [ 0 0 0.244487 ] [ 0.5 0 0.463986 ] [ 0 0 0.755513 ] [ 0.74915 0.25085 0.5 ] [ 0.25085 0.25085 0.5 ] [ 0.24915 0.24915 0 ] [ 0.75085 0.24915 0 ] [ 0.5 0.5 0.255513 ] [ 0.5 0.5 0.744487 ] [ 0 0.5 0.036014 ] [ 0 0.5 0.536014 ] [ 0.24915 0.75085 0 ] [ 0.75085 0.75085 0 ] [ 0.5 0.76717 0.72649 ] [ 0.26717 0 0.22649 ] [ 0.73283 0 0.22649 ] [ 0.5 0.23283 0.72649 ] [ 0 0.26717 0.77351 ] [ 0.76717 0.5 0.27351 ] [ 0.23283 0.5 0.27351 ] [ 0 0.73283 0.77351 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "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" 9.36386136 "source-unit" "angstrom" } "c" { "source-value" 6.66570418 "source-unit" "angstrom" } }