{ "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" [ [ 0.5 0.5 0.153783 ] [ 0.5 0.5 0.846217 ] [ 0 0 0.653783 ] [ 0 0 0.346217 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.887567 ] [ 0 0 0.112433 ] [ 0.5 0.5 0.387567 ] [ 0.5 0.5 0.612433 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Be" "Be" "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" 4.4535497 "source-unit" "angstrom" } "c" { "source-value" 12.83658122 "source-unit" "angstrom" } }