{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.053422 0.067488 0.3268 ] [ 0.053422 0.432512 0.3268 ] [ 0.946578 0.567488 0.6732 ] [ 0.946578 0.932512 0.6732 ] [ 0.477373 0.25 0.144306 ] [ 0.602029 0.25 0.537883 ] [ 0.397971 0.75 0.462117 ] [ 0.522627 0.75 0.855694 ] [ 0.675286 0.75 0.185938 ] [ 0.324714 0.25 0.814062 ] [ 0.326873 0.400795 0.173691 ] [ 0.159032 0.10088 0.79188 ] [ 0.159032 0.39912 0.79188 ] [ 0.203976 0.75 0.772322 ] [ 0.840968 0.89912 0.20812 ] [ 0.840968 0.60088 0.20812 ] [ 0.796024 0.25 0.227678 ] [ 0.76644 0.40057 0.511544 ] [ 0.76644 0.09943 0.511544 ] [ 0.706829 0.75 0.553503 ] [ 0.47368 0.75 0.028948 ] [ 0.673127 0.900795 0.826309 ] [ 0.23356 0.90057 0.488456 ] [ 0.425905 0.75 0.289586 ] [ 0.574095 0.25 0.710414 ] [ 0.23356 0.59943 0.488456 ] [ 0.326873 0.099205 0.173691 ] [ 0.52632 0.25 0.971052 ] [ 0.293171 0.25 0.446497 ] [ 0.673127 0.599205 0.826309 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "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" 4.71962824908 "source-unit" "angstrom" } "b" { "source-value" 8.57412373 "source-unit" "angstrom" } "c" { "source-value" 9.06389600571 "source-unit" "angstrom" } "beta" { "source-value" 99.0975764394 "source-unit" "degree" } }