{ "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" [ [ 0.753925 0.708375 0.503366 ] [ 0.246075 0.208375 0.996634 ] [ 0.753925 0.791625 0.003366 ] [ 0.246075 0.291625 0.496634 ] [ 0.713024 0.078779 0.260044 ] [ 0.286976 0.578779 0.239956 ] [ 0.286976 0.921221 0.739956 ] [ 0.713024 0.421221 0.760044 ] [ 0.216713 0.915303 0.259404 ] [ 0.783287 0.415303 0.240596 ] [ 0.216713 0.584697 0.759404 ] [ 0.783287 0.084697 0.740596 ] [ 0.60702 0.265052 0.139013 ] [ 0.882975 0.255608 0.851087 ] [ 0.084476 0.092995 0.642385 ] [ 0.117025 0.744392 0.148913 ] [ 0.492067 0.951667 0.140331 ] [ 0.374519 0.418893 0.853836 ] [ 0.625481 0.918893 0.646164 ] [ 0.374519 0.081107 0.353836 ] [ 0.507933 0.048333 0.859669 ] [ 0.00638 0.038461 0.138846 ] [ 0.084476 0.407005 0.142385 ] [ 0.117025 0.755608 0.648913 ] [ 0.915524 0.907005 0.357615 ] [ 0.00638 0.461539 0.638846 ] [ 0.625481 0.581107 0.146164 ] [ 0.99362 0.961539 0.861154 ] [ 0.39298 0.765052 0.360987 ] [ 0.915524 0.592995 0.857615 ] [ 0.99362 0.538461 0.361154 ] [ 0.492067 0.548333 0.640331 ] [ 0.60702 0.234948 0.639013 ] [ 0.507933 0.451667 0.359669 ] [ 0.882975 0.244392 0.351087 ] [ 0.39298 0.734948 0.860987 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 5.37315136826 "source-unit" "angstrom" } "b" { "source-value" 8.92291132 "source-unit" "angstrom" } "c" { "source-value" 10.3854354749 "source-unit" "angstrom" } "beta" { "source-value" 92.17244722 "source-unit" "degree" } }