{ "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" [ [ 0.357988 0 0.739228 ] [ 0.642012 0 0.260772 ] [ 0 0 0.5 ] [ 0.857988 0.5 0.739228 ] [ 0.142012 0.5 0.260772 ] [ 0.5 0.5 0.5 ] [ 0.037996 0.245441 0.30522 ] [ 0.962004 0.754559 0.69478 ] [ 0.037996 0.754559 0.30522 ] [ 0.962004 0.245441 0.69478 ] [ 0.209036 0 0.586178 ] [ 0.790964 0 0.413822 ] [ 0.684018 0 0.030349 ] [ 0.315982 0 0.969651 ] [ 0.537996 0.745441 0.30522 ] [ 0.462004 0.254559 0.69478 ] [ 0.537996 0.254559 0.30522 ] [ 0.462004 0.745441 0.69478 ] [ 0.709036 0.5 0.586178 ] [ 0.290964 0.5 0.413822 ] [ 0.184018 0.5 0.030349 ] [ 0.815982 0.5 0.969651 ] ] } "species" { "source-value" [ "Cr" "Cr" "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" 9.08435993 "source-unit" "angstrom" } "b" { "source-value" 5.43843662 "source-unit" "angstrom" } "c" { "source-value" 6.64995577 "source-unit" "angstrom" } "beta" { "source-value" 92.10442865 "source-unit" "degree" } }