{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbam" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.230976 0.142717 ] [ 0.5 0.769024 0.857283 ] [ 0.5 0.730976 0.357283 ] [ 0.5 0.269024 0.642717 ] [ 0 0.233395 0.373698 ] [ 0 0.766605 0.626302 ] [ 0 0.733395 0.126302 ] [ 0 0.266605 0.873698 ] [ 0.5 0.2389 0.914527 ] [ 0.5 0.2611 0.414527 ] [ 0 0.508384 0.760466 ] [ 0 0.491616 0.239534 ] [ 0.5 0.7611 0.085473 ] [ 0.5 0.7389 0.585473 ] [ 0 0.008384 0.739534 ] [ 0 0.991616 0.260466 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Cu" "Cu" "Cu" "Cu" "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" 3.70276219 "source-unit" "angstrom" } "b" { "source-value" 6.06111736 "source-unit" "angstrom" } "c" { "source-value" 11.91043092 "source-unit" "angstrom" } }