{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.161043 0.5 ] [ 0 0.161043 0 ] [ 0.273403 0.8522 0.75 ] [ 0.726597 0.8522 0.25 ] [ 0.726597 0.1478 0.25 ] [ 0.273403 0.1478 0.75 ] [ 0 0.838957 0 ] [ 0 0.838957 0.5 ] [ 0.5 0.661043 0.5 ] [ 0.5 0.661043 0 ] [ 0.773403 0.3522 0.75 ] [ 0.226597 0.3522 0.25 ] [ 0.226597 0.6478 0.25 ] [ 0.773403 0.6478 0.75 ] [ 0.5 0.338957 0 ] [ 0.5 0.338957 0.5 ] [ 0.339211 0 0.25 ] [ 0.660789 0 0.75 ] [ 0.839211 0.5 0.25 ] [ 0.160789 0.5 0.75 ] [ 0.962549 0.303171 0.25 ] [ 0.037451 0.303171 0.75 ] [ 0.203184 0 0.495017 ] [ 0.796816 0 0.504983 ] [ 0.796816 0 0.995017 ] [ 0.203184 0 0.004983 ] [ 0.037451 0.696829 0.75 ] [ 0.962549 0.696829 0.25 ] [ 0.462549 0.803171 0.25 ] [ 0.537451 0.803171 0.75 ] [ 0.703184 0.5 0.495017 ] [ 0.296816 0.5 0.504983 ] [ 0.296816 0.5 0.995017 ] [ 0.703184 0.5 0.004983 ] [ 0.537451 0.196829 0.75 ] [ 0.462549 0.196829 0.25 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "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" 7.44108602 "source-unit" "angstrom" } "b" { "source-value" 7.926919 "source-unit" "angstrom" } "c" { "source-value" 6.16168766 "source-unit" "angstrom" } }