{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.346547 0.75 ] [ 0 0.153453 0.25 ] [ 0 0.846547 0.75 ] [ 0.5 0.653453 0.25 ] [ 0.5 0.240027 0.947293 ] [ 0.742652 0.463138 0.75 ] [ 0.757348 0.963138 0.75 ] [ 0.5 0.240027 0.552707 ] [ 0 0.259973 0.447293 ] [ 0.757348 0.036862 0.25 ] [ 0.742652 0.536862 0.25 ] [ 0 0.259973 0.052707 ] [ 0 0.740027 0.947293 ] [ 0.242652 0.963138 0.75 ] [ 0.257348 0.463138 0.75 ] [ 0 0.740027 0.552707 ] [ 0.5 0.759973 0.447293 ] [ 0.257348 0.536862 0.25 ] [ 0.242652 0.036862 0.25 ] [ 0.5 0.759973 0.052707 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "O" "O" "O" "O" "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" 5.274505 "source-unit" "angstrom" } "b" { "source-value" 7.92685306 "source-unit" "angstrom" } "c" { "source-value" 6.45011254333 "source-unit" "angstrom" } }