{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.756178 0.090479 0.87907 ] [ 0.909521 0.756178 0.12093 ] [ 0.090479 0.243822 0.12093 ] [ 0.243822 0.909521 0.87907 ] [ 0.256178 0.590479 0.37907 ] [ 0.409521 0.256178 0.62093 ] [ 0.590479 0.743822 0.62093 ] [ 0.743822 0.409521 0.37907 ] ] } "species" { "source-value" [ "Be" "Be" "P" "P" "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" 4.77545631 "source-unit" "angstrom" } "c" { "source-value" 7.43431872 "source-unit" "angstrom" } }