{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.449404 0.75 ] [ 0 0.550596 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.367103 0.053345 0.894118 ] [ 0.567522 0.705852 0.854294 ] [ 0.432478 0.705852 0.645706 ] [ 0.662979 0.736374 0.475734 ] [ 0.567522 0.294148 0.354294 ] [ 0.337021 0.263626 0.524266 ] [ 0.432478 0.294148 0.145706 ] [ 0.337021 0.736374 0.024266 ] [ 0.367103 0.946655 0.394118 ] [ 0.662979 0.263626 0.975734 ] [ 0.632897 0.946655 0.105882 ] [ 0.632897 0.053345 0.605882 ] [ 0.717129 0.842432 0.051801 ] [ 0.5 0.389082 0.25 ] [ 0.8486 0.278226 0.999792 ] [ 0.8486 0.721774 0.499792 ] [ 0.1514 0.721774 0.000208 ] [ 0.282871 0.842432 0.448199 ] [ 0.5 0.610918 0.75 ] [ 0.282871 0.157568 0.948199 ] [ 0.1514 0.278226 0.500208 ] [ 0.717129 0.157568 0.551801 ] ] } "species" { "source-value" [ "Sr" "Sr" "Cu" "Cu" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "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" 5.46737821541 "source-unit" "angstrom" } "b" { "source-value" 6.29672524 "source-unit" "angstrom" } "c" { "source-value" 7.97729554251 "source-unit" "angstrom" } "beta" { "source-value" 107.794379101 "source-unit" "degree" } }