{ "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 0.790489 0.75 ] [ 0 0.209511 0.25 ] [ 0.496092 0.826854 0.86749 ] [ 0.503908 0.826854 0.63251 ] [ 0.496092 0.173146 0.36749 ] [ 0.503908 0.173146 0.13251 ] [ 0.23172 0.315584 0.565605 ] [ 0.23172 0.684416 0.065605 ] [ 0.76828 0.315584 0.934395 ] [ 0.76828 0.684416 0.434395 ] [ 0.193369 0.182778 0.958894 ] [ 0.193369 0.817222 0.458894 ] [ 0.5 0.335278 0.75 ] [ 0.5 0.664722 0.25 ] [ 0.806631 0.182778 0.541106 ] [ 0.806631 0.817222 0.041106 ] [ 0.042909 0.296481 0.893305 ] [ 0.042909 0.703519 0.393305 ] [ 0.241282 0.913374 0.94982 ] [ 0.241282 0.086626 0.44982 ] [ 0.299852 0.668009 0.533464 ] [ 0.299852 0.331991 0.033464 ] [ 0.403364 0.180461 0.671204 ] [ 0.403364 0.819539 0.171204 ] [ 0.5 0.602442 0.75 ] [ 0.5 0.397558 0.25 ] [ 0.596636 0.180461 0.828796 ] [ 0.596636 0.819539 0.328796 ] [ 0.700148 0.668009 0.966536 ] [ 0.700148 0.331991 0.466536 ] [ 0.758718 0.913374 0.55018 ] [ 0.758718 0.086626 0.05018 ] [ 0.957091 0.296481 0.606695 ] [ 0.957091 0.703519 0.106695 ] ] } "species" { "source-value" [ "Rb" "Rb" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "B" "B" "B" "B" "B" "B" "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" 6.3706561 "source-unit" "angstrom" } "b" { "source-value" 5.0042952 "source-unit" "angstrom" } "c" { "source-value" 12.90653433 "source-unit" "angstrom" } "beta" { "source-value" 91.65427513 "source-unit" "degree" } }