{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbna" } "basis-atom-coordinates" { "source-value" [ [ 0.751216 0.031149 0.111402 ] [ 0.751216 0.468851 0.888598 ] [ 0.748784 0.531149 0.388598 ] [ 0.748784 0.968851 0.611402 ] [ 0.248784 0.968851 0.888598 ] [ 0.248784 0.531149 0.111402 ] [ 0.251216 0.468851 0.611402 ] [ 0.251216 0.031149 0.388598 ] [ 0.608154 0.101801 0.846932 ] [ 0.608154 0.398199 0.153068 ] [ 0.891846 0.601801 0.653068 ] [ 0.891846 0.898199 0.346932 ] [ 0.391846 0.898199 0.153068 ] [ 0.391846 0.601801 0.846932 ] [ 0.108154 0.398199 0.346932 ] [ 0.108154 0.101801 0.653068 ] [ 0.047713 0.25 0 ] [ 0.452287 0.75 0.5 ] [ 0.952287 0.75 0 ] [ 0.547713 0.25 0.5 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 5.1695531 "source-unit" "angstrom" } "b" { "source-value" 5.3162555 "source-unit" "angstrom" } "c" { "source-value" 7.50261485 "source-unit" "angstrom" } }