{ "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" [ [ 0.75 0.25 0 ] [ 0 0 0.5 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0 ] [ 0.5 0.5 0.5 ] [ 0.25 0.25 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.760664 0.5 0.742854 ] [ 0.998069 0.250201 0.229626 ] [ 0.998069 0.749799 0.229626 ] [ 0.752266 0 0.746043 ] [ 0.247734 0 0.253957 ] [ 0.001931 0.250201 0.770374 ] [ 0.001931 0.749799 0.770374 ] [ 0.239336 0.5 0.257146 ] [ 0.260664 0 0.742854 ] [ 0.498069 0.750201 0.229626 ] [ 0.498069 0.249799 0.229626 ] [ 0.252266 0.5 0.746043 ] [ 0.747734 0.5 0.253957 ] [ 0.501931 0.750201 0.770374 ] [ 0.501931 0.249799 0.770374 ] [ 0.739336 0 0.257146 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Fe" "Fe" "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" 10.38757276 "source-unit" "angstrom" } "b" { "source-value" 5.99485454 "source-unit" "angstrom" } "c" { "source-value" 6.07025178 "source-unit" "angstrom" } "beta" { "source-value" 125.41183113 "source-unit" "degree" } }