{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.008138 0.959585 0.75 ] [ 0.491862 0.459585 0.75 ] [ 0.508138 0.540415 0.25 ] [ 0.991862 0.040415 0.25 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.092317 0.469609 0.25 ] [ 0.201425 0.204321 0.548887 ] [ 0.201425 0.204321 0.951113 ] [ 0.298575 0.704321 0.548887 ] [ 0.298575 0.704321 0.951113 ] [ 0.407683 0.969609 0.25 ] [ 0.592317 0.030391 0.75 ] [ 0.701425 0.295679 0.048887 ] [ 0.701425 0.295679 0.451113 ] [ 0.798575 0.795679 0.048887 ] [ 0.798575 0.795679 0.451113 ] [ 0.907683 0.530391 0.75 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Fe" "Fe" "Fe" "Fe" "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" 5.3668031 "source-unit" "angstrom" } "b" { "source-value" 5.44619209 "source-unit" "angstrom" } "c" { "source-value" 7.68618037 "source-unit" "angstrom" } }