{ "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 0.25 0.869231 ] [ 0.5 0.25 0.630769 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0.75 0.369231 ] [ 0 0.75 0.130769 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.765982 0.25 0.499804 ] [ 0.234018 0.25 0.499804 ] [ 0.5 0.991516 0.761772 ] [ 0.5 0.508484 0.761772 ] [ 0 0.991516 0.738228 ] [ 0.265982 0.25 0.000196 ] [ 0 0.508484 0.738228 ] [ 0.734018 0.25 0.000196 ] [ 0.265982 0.75 0.999804 ] [ 0.734018 0.75 0.999804 ] [ 0 0.491516 0.261772 ] [ 0 0.008484 0.261772 ] [ 0.5 0.491516 0.238228 ] [ 0.765982 0.75 0.500196 ] [ 0.5 0.008484 0.238228 ] [ 0.234018 0.75 0.500196 ] ] } "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" 5.99527859051 "source-unit" "angstrom" } "b" { "source-value" 6.04399001579 "source-unit" "angstrom" } "c" { "source-value" 8.57451742453 "source-unit" "angstrom" } }