{ "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 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.332237 ] [ 0 0 0.667763 ] [ 0.5 0.5 0.167763 ] [ 0.5 0.5 0.832237 ] [ 0.201655 0.798345 0.173403 ] [ 0.201655 0.798345 0.826597 ] [ 0.189461 0.810539 0.5 ] [ 0.310539 0.310539 0 ] [ 0.298345 0.298345 0.326597 ] [ 0.298345 0.298345 0.673403 ] [ 0.701655 0.701655 0.326597 ] [ 0.701655 0.701655 0.673403 ] [ 0.689461 0.689461 0 ] [ 0.810539 0.189461 0.5 ] [ 0.798345 0.201655 0.173403 ] [ 0.798345 0.201655 0.826597 ] ] } "species" { "source-value" [ "Ba" "Ba" "Sr" "Sr" "Sr" "Sr" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.888207 "source-unit" "angstrom" } "c" { "source-value" 15.268682 "source-unit" "angstrom" } }