{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.75 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.5 0.5 0.25 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.846174 0.346174 0.121489 ] [ 0.846174 0.346174 0.878511 ] [ 0.153826 0.653826 0.878511 ] [ 0.346174 0.153826 0.878511 ] [ 0.153826 0.653826 0.121489 ] [ 0.346174 0.153826 0.121489 ] [ 0.653826 0.846174 0.121489 ] [ 0.653826 0.846174 0.878511 ] [ 0.346174 0.846174 0.621489 ] [ 0.346174 0.846174 0.378511 ] [ 0.653826 0.153826 0.378511 ] [ 0.846174 0.653826 0.378511 ] [ 0.653826 0.153826 0.621489 ] [ 0.846174 0.653826 0.621489 ] [ 0.153826 0.346174 0.621489 ] [ 0.153826 0.346174 0.378511 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Br" "Br" "Br" "Br" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.30148258198 "source-unit" "angstrom" } "c" { "source-value" 11.288217964 "source-unit" "angstrom" } }