{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0 0.5 ] [ 0.75 0.75 0.75 ] [ 0 0 0 ] [ 0.75 0.25 0.25 ] [ 0 0.5 0 ] [ 0.25 0.25 0.25 ] [ 0 0.25 0.62439 ] [ 0.5 0.25 0.87561 ] [ 0.5 0.75 0.12439 ] [ 0 0.75 0.37561 ] [ 0 0.971691 0.754848 ] [ 0.77132 0.75 0.987458 ] [ 0.22868 0.75 0.987458 ] [ 0.5 0.971691 0.745152 ] [ 0 0.528309 0.754848 ] [ 0.27132 0.75 0.512542 ] [ 0.5 0.528309 0.745152 ] [ 0.72868 0.75 0.512542 ] [ 0.5 0.471691 0.254848 ] [ 0.27132 0.25 0.487458 ] [ 0.72868 0.25 0.487458 ] [ 0 0.471691 0.245152 ] [ 0.5 0.028309 0.254848 ] [ 0.77132 0.25 0.012542 ] [ 0 0.028309 0.245152 ] [ 0.22868 0.25 0.012542 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Co" "Co" "Co" "Co" "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" 5.88848854 "source-unit" "angstrom" } "b" { "source-value" 5.9147554 "source-unit" "angstrom" } "c" { "source-value" 8.43440767 "source-unit" "angstrom" } }