{ "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 0.5 0 ] [ 0.17156 0 0.306944 ] [ 0.32844 0.5 0.693056 ] [ 0.5 0 0 ] [ 0.67156 0.5 0.306944 ] [ 0.82844 0 0.693056 ] [ 0.172421 0 0.859576 ] [ 0.327579 0.5 0.140424 ] [ 0.672421 0.5 0.859576 ] [ 0.827579 0 0.140424 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.153941 0.5 0.599553 ] [ 0.3406 0 0.923423 ] [ 0.346059 0 0.400447 ] [ 0.006389 0 0.28557 ] [ 0.993611 0 0.71443 ] [ 0.1594 0.5 0.076577 ] [ 0.653941 0 0.599553 ] [ 0.8406 0.5 0.923423 ] [ 0.846059 0.5 0.400447 ] [ 0.506389 0.5 0.28557 ] [ 0.493611 0.5 0.71443 ] [ 0.6594 0 0.076577 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Sb" "Sb" "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" 13.13242559 "source-unit" "angstrom" } "b" { "source-value" 3.11588872 "source-unit" "angstrom" } "c" { "source-value" 6.30727039 "source-unit" "angstrom" } "beta" { "source-value" 103.74314233 "source-unit" "degree" } }