{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.166542 0.5 ] [ 0.5 0.166772 0 ] [ 0.5 0.833228 0 ] [ 0 0.833458 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.666542 0.5 ] [ 0 0.666772 0 ] [ 0 0.333228 0 ] [ 0.5 0.333458 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.183388 0.184498 0.893071 ] [ 0.816612 0.184498 0.106929 ] [ 0.667915 0.833666 0.594346 ] [ 0.667915 0.166334 0.594346 ] [ 0.332085 0.833666 0.405654 ] [ 0.83331 0 0.404804 ] [ 0.332085 0.166334 0.405654 ] [ 0.183388 0.815502 0.893071 ] [ 0.629528 0 0.892671 ] [ 0.816612 0.815502 0.106929 ] [ 0.370472 0 0.107329 ] [ 0.16669 0 0.595196 ] [ 0.683388 0.684498 0.893071 ] [ 0.316612 0.684498 0.106929 ] [ 0.167915 0.333666 0.594346 ] [ 0.167915 0.666334 0.594346 ] [ 0.832085 0.333666 0.405654 ] [ 0.33331 0.5 0.404804 ] [ 0.832085 0.666334 0.405654 ] [ 0.683388 0.315502 0.893071 ] [ 0.129528 0.5 0.892671 ] [ 0.316612 0.315502 0.106929 ] [ 0.870472 0.5 0.107329 ] [ 0.66669 0.5 0.595196 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.07559477 "source-unit" "angstrom" } "b" { "source-value" 8.81534778 "source-unit" "angstrom" } "c" { "source-value" 9.4428792 "source-unit" "angstrom" } "beta" { "source-value" 90.3098946 "source-unit" "degree" } }