{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.179119 ] [ 0.5 0.5 0.820881 ] [ 0.5 0.5 0.5 ] [ 0 0 0.34441 ] [ 0 0 0.65559 ] [ 0 0 0 ] [ 0 0 0.842499 ] [ 0 0.5 0 ] [ 0 0.5 0.36642 ] [ 0.5 0 0.631042 ] [ 0 0 0.157501 ] [ 0 0.5 0.63358 ] [ 0.5 0 0.368958 ] ] } "species" { "source-value" [ "Ba" "Ba" "La" "Cu" "Cu" "Cu" "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" 3.91203274002 "source-unit" "angstrom" } "b" { "source-value" 3.97857459002 "source-unit" "angstrom" } "c" { "source-value" 11.90092453 "source-unit" "angstrom" } }