{ "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 ] [ 0.674517 0.174517 0.5 ] [ 0.174517 0.325483 0.5 ] [ 0.825483 0.674517 0.5 ] [ 0.325483 0.825483 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.858733 0.358733 0.743853 ] [ 0.358733 0.141267 0.743853 ] [ 0.641267 0.858733 0.743853 ] [ 0.141267 0.641267 0.743853 ] [ 0.641267 0.858733 0.256147 ] [ 0.358733 0.141267 0.256147 ] [ 0.858733 0.358733 0.256147 ] [ 0.141267 0.641267 0.256147 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Gd" "Gd" "Gd" "Gd" "Pd" "Pd" "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" 6.66648444 "source-unit" "angstrom" } "c" { "source-value" 5.95101071 "source-unit" "angstrom" } }