{ "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" [ [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0.5 0 0 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0 0.5 0 ] [ 0.731413 0 0.206533 ] [ 0.987368 0.736774 0.213857 ] [ 0.755503 0 0.777125 ] [ 0.012632 0.736774 0.786143 ] [ 0.987368 0.263226 0.213857 ] [ 0.244497 0 0.222875 ] [ 0.012632 0.263226 0.786143 ] [ 0.268587 0 0.793467 ] [ 0.231413 0.5 0.206533 ] [ 0.487368 0.236774 0.213857 ] [ 0.255503 0.5 0.777125 ] [ 0.512632 0.236774 0.786143 ] [ 0.487368 0.763226 0.213857 ] [ 0.744497 0.5 0.222875 ] [ 0.512632 0.763226 0.786143 ] [ 0.768587 0.5 0.793467 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "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" 9.87693316 "source-unit" "angstrom" } "b" { "source-value" 5.73381482 "source-unit" "angstrom" } "c" { "source-value" 5.80360752 "source-unit" "angstrom" } "beta" { "source-value" 123.95951171 "source-unit" "degree" } }