{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.319739 0.319739 0 ] [ 0.180261 0.819739 0.5 ] [ 0.819739 0.180261 0.5 ] [ 0.680261 0.680261 0 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0 0 0.225599 ] [ 0.5 0.5 0.725599 ] [ 0.5 0.5 0.274401 ] [ 0 0 0.774401 ] [ 0.686973 0.686973 0.5 ] [ 0.313027 0.313027 0.5 ] [ 0.813027 0.186973 0 ] [ 0.186973 0.813027 0 ] [ 0.226349 0.226349 0.363203 ] [ 0.273651 0.726349 0.863203 ] [ 0.773651 0.773651 0.636797 ] [ 0.726349 0.273651 0.136797 ] [ 0.273651 0.726349 0.136797 ] [ 0.226349 0.226349 0.636797 ] [ 0.773651 0.773651 0.363203 ] [ 0 0 0 ] [ 0.726349 0.273651 0.863203 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Be" "Be" "Be" "Be" "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" 5.99768518 "source-unit" "angstrom" } "c" { "source-value" 10.12044113 "source-unit" "angstrom" } }