{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.987185 0.700771 0.765757 ] [ 0.012815 0.299229 0.234243 ] [ 0.512815 0.200771 0.734243 ] [ 0.487185 0.799229 0.265757 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.005176 0.237489 0.924959 ] [ 0.505176 0.262511 0.424959 ] [ 0.494824 0.737489 0.575041 ] [ 0.994824 0.762511 0.075041 ] [ 0.545822 0.173579 0.105656 ] [ 0.045822 0.326421 0.605656 ] [ 0.454178 0.826421 0.894344 ] [ 0.954178 0.673579 0.394344 ] [ 0.744789 0.62376 0.120531 ] [ 0.559112 0.572225 0.677956 ] [ 0.255211 0.37624 0.879469 ] [ 0.755211 0.12376 0.379469 ] [ 0.277091 0.077226 0.394471 ] [ 0.222909 0.577226 0.105529 ] [ 0.440888 0.427775 0.322044 ] [ 0.722909 0.922774 0.605529 ] [ 0.059112 0.927775 0.177956 ] [ 0.244789 0.87624 0.620531 ] [ 0.777091 0.422774 0.894471 ] [ 0.940888 0.072225 0.822044 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Co" "Co" "Se" "Se" "Se" "Se" "Cl" "Cl" "Cl" "Cl" "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" 5.4245019295 "source-unit" "angstrom" } "b" { "source-value" 6.51151472 "source-unit" "angstrom" } "c" { "source-value" 12.5525167268 "source-unit" "angstrom" } "beta" { "source-value" 92.8914954997 "source-unit" "degree" } }