{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.823166 0.676834 0.5 ] [ 0.676834 0.176834 0.5 ] [ 0.323166 0.823166 0.5 ] [ 0.176834 0.323166 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.141128 0.641128 0.248231 ] [ 0.858872 0.358872 0.248231 ] [ 0.358872 0.141128 0.248231 ] [ 0.641128 0.858872 0.248231 ] [ 0.141128 0.641128 0.751769 ] [ 0.641128 0.858872 0.751769 ] [ 0.858872 0.358872 0.751769 ] [ 0.358872 0.141128 0.751769 ] ] } "species" { "source-value" [ "Ba" "Ba" "La" "La" "La" "La" "Pt" "Pt" "O" "O" "O" "O" "O" "O" "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" 6.94666023 "source-unit" "angstrom" } "c" { "source-value" 6.0032086 "source-unit" "angstrom" } }