{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.022767 0 0.65656 ] [ 0.977233 0 0.34344 ] [ 0.47623 0.5 0.84201 ] [ 0.5 0.5 0.5 ] [ 0.52377 0.5 0.15799 ] [ 0.819994 0.5 0.062218 ] [ 0.782884 0.5 0.404846 ] [ 0.691876 0 0.230286 ] [ 0.68696 0 0.900664 ] [ 0.696894 0 0.563452 ] [ 0.303106 0 0.436548 ] [ 0.308124 0 0.769714 ] [ 0.31304 0 0.099336 ] [ 0.180006 0.5 0.937782 ] [ 0.217116 0.5 0.595154 ] [ 0.812452 0.5 0.73011 ] [ 0.187548 0.5 0.26989 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.51436568 "source-unit" "angstrom" } "b" { "source-value" 2.91112318 "source-unit" "angstrom" } "c" { "source-value" 13.5385327 "source-unit" "angstrom" } "beta" { "source-value" 93.00879668 "source-unit" "degree" } }