{ "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 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0.5 0 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0.5 0 0 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.993909 0.238622 0.205962 ] [ 0.993909 0.761378 0.205962 ] [ 0.730657 0 0.213179 ] [ 0.228546 0 0.212231 ] [ 0.771454 0 0.787769 ] [ 0.269343 0 0.786821 ] [ 0.006091 0.238622 0.794038 ] [ 0.006091 0.761378 0.794038 ] [ 0.493909 0.738622 0.205962 ] [ 0.493909 0.261378 0.205962 ] [ 0.230657 0.5 0.213179 ] [ 0.728546 0.5 0.212231 ] [ 0.271454 0.5 0.787769 ] [ 0.769343 0.5 0.786821 ] [ 0.506091 0.738622 0.794038 ] [ 0.506091 0.261378 0.794038 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 10.21130674 "source-unit" "angstrom" } "b" { "source-value" 5.90924514 "source-unit" "angstrom" } "c" { "source-value" 6.03172571 "source-unit" "angstrom" } "beta" { "source-value" 125.16986971 "source-unit" "degree" } }