{ "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 0 0 ] [ 0.5 0.5 0 ] [ 0.355382 0 0.260238 ] [ 0.644618 0 0.739762 ] [ 0 0 0.5 ] [ 0.855382 0.5 0.260238 ] [ 0.144618 0.5 0.739762 ] [ 0.5 0.5 0.5 ] [ 0.257156 0 0.042983 ] [ 0.742844 0 0.957017 ] [ 0.230658 0 0.454705 ] [ 0.769342 0 0.545295 ] [ 0.970041 0.246124 0.272671 ] [ 0.029959 0.753876 0.727329 ] [ 0.970041 0.753876 0.272671 ] [ 0.029959 0.246124 0.727329 ] [ 0.757156 0.5 0.042983 ] [ 0.242844 0.5 0.957017 ] [ 0.730658 0.5 0.454705 ] [ 0.269342 0.5 0.545295 ] [ 0.470041 0.746124 0.272671 ] [ 0.529959 0.253876 0.727329 ] [ 0.470041 0.253876 0.272671 ] [ 0.529959 0.746124 0.727329 ] ] } "species" { "source-value" [ "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 8.47492807 "source-unit" "angstrom" } "b" { "source-value" 5.53038036 "source-unit" "angstrom" } "c" { "source-value" 6.42988594 "source-unit" "angstrom" } "beta" { "source-value" 91.30952739 "source-unit" "degree" } }