{ "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" [ [ 0.753806 0.395901 0.323079 ] [ 0.253806 0.104099 0.323079 ] [ 0.246194 0.604099 0.676921 ] [ 0.746194 0.895901 0.676921 ] [ 0.027744 0.863053 0.780991 ] [ 0.472256 0.363053 0.219009 ] [ 0.527744 0.636947 0.780991 ] [ 0.972256 0.136947 0.219009 ] [ 0.742443 0.120755 0.498151 ] [ 0.757557 0.620755 0.501849 ] [ 0.242443 0.379245 0.498151 ] [ 0.257557 0.879245 0.501849 ] [ 0.379228 0.909619 0.161584 ] [ 0.879228 0.590381 0.161584 ] [ 0.620772 0.090381 0.838416 ] [ 0.120772 0.409619 0.838416 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "O" "O" "O" "O" "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" 5.74496179 "source-unit" "angstrom" } "b" { "source-value" 5.32300718 "source-unit" "angstrom" } "c" { "source-value" 7.10096317 "source-unit" "angstrom" } "beta" { "source-value" 99.13315084 "source-unit" "degree" } }