{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.1445 ] [ 0.5 0.5 0.8555 ] [ 0.5 0.5 0.5 ] [ 0 0 0.6445 ] [ 0 0 0.3555 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0.814202 ] [ 0 0 0.185798 ] [ 0.5 0.5 0.314202 ] [ 0.5 0.5 0.685798 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Si" "Si" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.28243805454 "source-unit" "angstrom" } "c" { "source-value" 19.1330897919 "source-unit" "angstrom" } }