{ "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" [ [ 0.011862 0 0.203471 ] [ 0.988138 0 0.796529 ] [ 0.5 0 0 ] [ 0.511862 0.5 0.203471 ] [ 0.488138 0.5 0.796529 ] [ 0 0.5 0 ] [ 0.39285 0.5 0.349313 ] [ 0.60715 0.5 0.650687 ] [ 0.89285 0 0.349313 ] [ 0.10715 0 0.650687 ] [ 0.418043 0 0.576991 ] [ 0.581957 0 0.423009 ] [ 0.918043 0.5 0.576991 ] [ 0.081957 0.5 0.423009 ] [ 0.177934 0 0.87411 ] [ 0.819537 0 0.760701 ] [ 0.958341 0.688971 0.762372 ] [ 0.822066 0 0.12589 ] [ 0.180463 0 0.239299 ] [ 0.541659 0.188971 0.237628 ] [ 0.193525 0 0.643626 ] [ 0.458341 0.811029 0.762372 ] [ 0.806475 0 0.356374 ] [ 0.041659 0.311029 0.237628 ] [ 0.677934 0.5 0.87411 ] [ 0.319537 0.5 0.760701 ] [ 0.458341 0.188971 0.762372 ] [ 0.322066 0.5 0.12589 ] [ 0.680463 0.5 0.239299 ] [ 0.041659 0.688971 0.237628 ] [ 0.693525 0.5 0.643626 ] [ 0.958341 0.311029 0.762372 ] [ 0.306475 0.5 0.356374 ] [ 0.541659 0.811029 0.237628 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "C" "C" "C" "C" "Se" "Se" "Se" "Se" "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" 14.2052311486 "source-unit" "angstrom" } "b" { "source-value" 6.62745642978 "source-unit" "angstrom" } "c" { "source-value" 9.01589833259 "source-unit" "angstrom" } "beta" { "source-value" 149.344857267 "source-unit" "degree" } }