{ "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" [ [ 0.987602 0.050635 0.250653 ] [ 0.512398 0.550635 0.249347 ] [ 0.487602 0.449365 0.750653 ] [ 0.012398 0.949365 0.749347 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.592609 0.030314 0.74804 ] [ 0.907391 0.530314 0.75196 ] [ 0.407391 0.969686 0.25196 ] [ 0.092609 0.469686 0.24804 ] [ 0.199096 0.206588 0.950987 ] [ 0.300904 0.706588 0.549013 ] [ 0.800904 0.793412 0.049013 ] [ 0.699096 0.293412 0.450987 ] [ 0.704237 0.298011 0.047626 ] [ 0.795763 0.798011 0.452374 ] [ 0.295763 0.701989 0.952374 ] [ 0.204237 0.201989 0.547626 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Fe" "Fe" "Sb" "Sb" "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" 5.482270879 "source-unit" "angstrom" } "b" { "source-value" 5.6204796 "source-unit" "angstrom" } "c" { "source-value" 7.82610281282 "source-unit" "angstrom" } "beta" { "source-value" 90.1739137959 "source-unit" "degree" } }