{ "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" [ [ 0.313778 0.931209 0.5 ] [ 0.686222 0.931209 0 ] [ 0.686222 0.068791 0.5 ] [ 0.931209 0.686222 0 ] [ 0.931209 0.313778 0.5 ] [ 0.313778 0.068791 0 ] [ 0.068791 0.313778 0 ] [ 0.068791 0.686222 0.5 ] [ 0.266017 0.733983 0.5 ] [ 0.733983 0.733983 0 ] [ 0.236449 0 0.25 ] [ 0.733983 0.266017 0.5 ] [ 0.266017 0.266017 0 ] [ 0.236449 0 0.75 ] [ 0 0.236449 0.75 ] [ 0 0.763551 0.75 ] [ 0 0.763551 0.25 ] [ 0 0.5 0.5 ] [ 0.763551 0 0.75 ] [ 0 0.236449 0.25 ] [ 0.5 0 0 ] [ 0.763551 0 0.25 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "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" 8.23581744 "source-unit" "angstrom" } "c" { "source-value" 5.56267087 "source-unit" "angstrom" } }