{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4mm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.00171 ] [ 0.5 0.5 0.50171 ] [ 0 0.5 0.753367 ] [ 0.5 0 0.753367 ] [ 0.5 0.5 0.917076 ] [ 0.5 0 0.253367 ] [ 0 0.5 0.253367 ] [ 0 0 0.417076 ] [ 0.5 0.5 0.15358 ] [ 0 0 0.65358 ] ] } "species" { "source-value" [ "Ba" "Ba" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.97391042162 "source-unit" "angstrom" } "c" { "source-value" 11.2909466282 "source-unit" "angstrom" } }