{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/ncc" } "basis-atom-coordinates" { "source-value" [ [ 0.326559 0.673441 0.75 ] [ 0.173441 0.173441 0.75 ] [ 0.826559 0.826559 0.75 ] [ 0.673441 0.326559 0.75 ] [ 0.173441 0.826559 0.25 ] [ 0.326559 0.326559 0.25 ] [ 0.673441 0.673441 0.25 ] [ 0.826559 0.173441 0.25 ] [ 0 0.5 0.580038 ] [ 0.5 0 0.919962 ] [ 0.5 0 0.419962 ] [ 0 0.5 0.080038 ] [ 0.215458 0.398424 0.587489 ] [ 0.784542 0.601576 0.587489 ] [ 0.101576 0.715458 0.587489 ] [ 0.898424 0.284542 0.587489 ] [ 0.398424 0.215458 0.912511 ] [ 0.715458 0.101576 0.912511 ] [ 0.284542 0.898424 0.912511 ] [ 0.601576 0.784542 0.912511 ] [ 0.284542 0.101576 0.412511 ] [ 0.715458 0.898424 0.412511 ] [ 0.398424 0.784542 0.412511 ] [ 0.601576 0.215458 0.412511 ] [ 0.898424 0.715458 0.087489 ] [ 0.215458 0.601576 0.087489 ] [ 0.784542 0.398424 0.087489 ] [ 0.101576 0.284542 0.087489 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Pd" "Pd" "Pd" "Pd" "O" "O" "O" "O" "O" "O" "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" 8.61246564 "source-unit" "angstrom" } "c" { "source-value" 6.16996686 "source-unit" "angstrom" } }