{ "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 0.833425 ] [ 0 0 0.166575 ] [ 0.5 0.5 0.333425 ] [ 0.5 0.5 0.666575 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.205441 0.794559 0 ] [ 0.192369 0.807631 0.659684 ] [ 0.192369 0.807631 0.340316 ] [ 0.307631 0.307631 0.840316 ] [ 0.307631 0.307631 0.159684 ] [ 0.294559 0.294559 0.5 ] [ 0.705441 0.705441 0.5 ] [ 0.692369 0.692369 0.159684 ] [ 0.692369 0.692369 0.840316 ] [ 0.807631 0.192369 0.340316 ] [ 0.807631 0.192369 0.659684 ] [ 0.794559 0.205441 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "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" 7.99448512 "source-unit" "angstrom" } "c" { "source-value" 15.61652102 "source-unit" "angstrom" } }