{ "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" [ [ 0.355944 0.5 0.470448 ] [ 0.839766 0.5 0.153647 ] [ 0.160234 0.5 0.846353 ] [ 0.644056 0.5 0.529552 ] [ 0.855944 0 0.470448 ] [ 0.339766 0 0.153647 ] [ 0.660234 0 0.846353 ] [ 0.144056 0 0.529552 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.91194 0 0.18836 ] [ 0.08806 0 0.81164 ] [ 0.41194 0.5 0.18836 ] [ 0.58806 0.5 0.81164 ] [ 0.259747 0 0.355268 ] [ 0.740253 0 0.644732 ] [ 0.759747 0.5 0.355268 ] [ 0.240253 0.5 0.644732 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.96467642 "source-unit" "angstrom" } "b" { "source-value" 3.71492582 "source-unit" "angstrom" } "c" { "source-value" 6.61518267 "source-unit" "angstrom" } "beta" { "source-value" 128.18001509 "source-unit" "degree" } }