{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.353004 0.33357 ] [ 0.5 0.646996 0.66643 ] [ 0.5 0.853004 0.16643 ] [ 0.5 0.146996 0.83357 ] [ 0.256787 0 0.5 ] [ 0.743213 0.5 0 ] [ 0.743213 0 0.5 ] [ 0.256787 0.5 0 ] [ 0 0.180099 0.175848 ] [ 0 0.819901 0.824152 ] [ 0 0.680099 0.324152 ] [ 0 0.319901 0.675848 ] [ 0 0.150653 0.43262 ] [ 0 0.849347 0.56738 ] [ 0 0.650653 0.06738 ] [ 0 0.349347 0.93262 ] [ 0.240751 0.369877 0.206285 ] [ 0.240751 0.630123 0.793715 ] [ 0.759249 0.869877 0.293715 ] [ 0.759249 0.130123 0.706285 ] [ 0.759249 0.630123 0.793715 ] [ 0.759249 0.369877 0.206285 ] [ 0.240751 0.130123 0.706285 ] [ 0.240751 0.869877 0.293715 ] [ 0.5 0.131544 0.405293 ] [ 0.5 0.868456 0.594707 ] [ 0.5 0.631544 0.094707 ] [ 0.5 0.368456 0.905293 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Bi" "Bi" "Bi" "Bi" "O" "O" "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" 6.14187687 "source-unit" "angstrom" } "b" { "source-value" 8.14012792 "source-unit" "angstrom" } "c" { "source-value" 8.57544008 "source-unit" "angstrom" } }