{ "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 0.5 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.5 0 0 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.74862 0 0.279327 ] [ 0.235024 0 0.243876 ] [ 0.99129 0.233466 0.759096 ] [ 0.25138 0 0.720673 ] [ 0.99129 0.766534 0.759096 ] [ 0.764976 0 0.756124 ] [ 0.00871 0.766534 0.240904 ] [ 0.00871 0.233466 0.240904 ] [ 0.24862 0.5 0.279327 ] [ 0.735024 0.5 0.243876 ] [ 0.49129 0.733466 0.759096 ] [ 0.75138 0.5 0.720673 ] [ 0.49129 0.266534 0.759096 ] [ 0.264976 0.5 0.756124 ] [ 0.50871 0.266534 0.240904 ] [ 0.50871 0.733466 0.240904 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Nb" "Nb" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 10.53606441 "source-unit" "angstrom" } "b" { "source-value" 6.10779019 "source-unit" "angstrom" } "c" { "source-value" 6.08111602 "source-unit" "angstrom" } "beta" { "source-value" 124.85498415 "source-unit" "degree" } }