{ "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" [ [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0 0 0.5 ] [ 0.25 0 0.871612 ] [ 0.75 0 0.128388 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.75 0.5 0.371612 ] [ 0.25 0.5 0.628388 ] [ 0 0.5 0 ] [ 0.25 0.231052 0.491293 ] [ 0.75 0.268948 0.991293 ] [ 0.981464 0.5 0.765263 ] [ 0.018536 0 0.265263 ] [ 0.981464 0 0.734737 ] [ 0.018536 0.5 0.234737 ] [ 0.25 0.731052 0.008707 ] [ 0.75 0.768948 0.508707 ] [ 0.75 0.731052 0.991293 ] [ 0.25 0.768948 0.491293 ] [ 0.481464 0 0.265263 ] [ 0.518536 0.5 0.765263 ] [ 0.481464 0.5 0.234737 ] [ 0.518536 0 0.734737 ] [ 0.75 0.231052 0.508707 ] [ 0.25 0.268948 0.008707 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Co" "Co" "Co" "Co" "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" 6.00203856 "source-unit" "angstrom" } "b" { "source-value" 6.01734075 "source-unit" "angstrom" } "c" { "source-value" 8.30039046 "source-unit" "angstrom" } }