{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.166851 0.75 ] [ 0.5 0.833149 0.25 ] [ 0 0.666851 0.75 ] [ 0 0.333149 0.25 ] [ 0 0.826114 0.75 ] [ 0 0.173886 0.25 ] [ 0.736791 0.08714 0.729673 ] [ 0.263209 0.08714 0.770327 ] [ 0.736791 0.91286 0.229673 ] [ 0.263209 0.91286 0.270327 ] [ 0.5 0.326114 0.75 ] [ 0.5 0.673886 0.25 ] [ 0.236791 0.58714 0.729673 ] [ 0.763209 0.58714 0.770327 ] [ 0.236791 0.41286 0.229673 ] [ 0.763209 0.41286 0.270327 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "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" 4.98364456 "source-unit" "angstrom" } "b" { "source-value" 8.6682582 "source-unit" "angstrom" } "c" { "source-value" 5.46536183 "source-unit" "angstrom" } "beta" { "source-value" 94.767066 "source-unit" "degree" } }