{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmm2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.752002 ] [ 0.5 0 0.759758 ] [ 0.5 0.5 0.043302 ] [ 0 0 0.503793 ] [ 0 0 0.015535 ] [ 0.5 0.5 0.487261 ] [ 0.744447 0.764391 0.987436 ] [ 0.255553 0.764391 0.987436 ] [ 0.5 0.5 0.733574 ] [ 0.252047 0.231377 0.501887 ] [ 0 0 0.737281 ] [ 0.252047 0.768623 0.501887 ] [ 0.747953 0.231377 0.501887 ] [ 0.747953 0.768623 0.501887 ] [ 0.5 0.5 0.262199 ] [ 0.744447 0.235609 0.987436 ] [ 0.255553 0.235609 0.987436 ] ] } "species" { "source-value" [ "Ba" "La" "Fe" "Fe" "Cu" "Cu" "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" 5.39324142 "source-unit" "angstrom" } "b" { "source-value" 5.40960641 "source-unit" "angstrom" } "c" { "source-value" 8.21936899 "source-unit" "angstrom" } }