{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.099387 0.655054 0.282801 ] [ 0.400613 0.155054 0.217199 ] [ 0.900613 0.344946 0.717199 ] [ 0.599387 0.844946 0.782801 ] [ 0.612545 0.663964 0.302939 ] [ 0.887455 0.163964 0.197061 ] [ 0.387455 0.336036 0.697061 ] [ 0.112545 0.836036 0.802939 ] [ 0.49486 0.839964 0.393101 ] [ 0.00514 0.339964 0.106899 ] [ 0.50514 0.160036 0.606899 ] [ 0.99486 0.660036 0.893101 ] [ 0.726132 0.708174 0.119185 ] [ 0.773868 0.208174 0.380815 ] [ 0.273868 0.291826 0.880815 ] [ 0.226132 0.791826 0.619185 ] [ 0.921764 0.002143 0.746631 ] [ 0.578236 0.502143 0.753369 ] [ 0.078236 0.997857 0.253369 ] [ 0.421764 0.497857 0.246631 ] [ 0.330534 0.888765 0.983766 ] [ 0.169466 0.388765 0.516234 ] [ 0.669466 0.111235 0.016234 ] [ 0.830534 0.611235 0.483766 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "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" 6.74985955313 "source-unit" "angstrom" } "b" { "source-value" 7.29032339 "source-unit" "angstrom" } "c" { "source-value" 7.14658565492 "source-unit" "angstrom" } "beta" { "source-value" 105.563137059 "source-unit" "degree" } }