{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.817251 0.75 0.750858 ] [ 0.182749 0.25 0.249142 ] [ 0.999427 0.25 0.738141 ] [ 0.000573 0.75 0.261859 ] [ 0.688493 0.25 0.274884 ] [ 0.311507 0.75 0.725116 ] [ 0.845515 0.75 0.03971 ] [ 0.749392 0.75 0.435714 ] [ 0.154485 0.25 0.96029 ] [ 0.204442 0.540315 0.289963 ] [ 0.204442 0.959685 0.289963 ] [ 0.250608 0.25 0.564286 ] [ 0.795558 0.459685 0.710037 ] [ 0.795558 0.040315 0.710037 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Mo" "Mo" "Cl" "Cl" "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" 5.11029025394 "source-unit" "angstrom" } "b" { "source-value" 7.00973094 "source-unit" "angstrom" } "c" { "source-value" 7.18900621965 "source-unit" "angstrom" } "beta" { "source-value" 91.4321896163 "source-unit" "degree" } }