{ "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" [ [ 0.190624 0.788303 0.360369 ] [ 0.809376 0.288303 0.139631 ] [ 0.809376 0.211697 0.639631 ] [ 0.190624 0.711697 0.860369 ] [ 0.324899 0.074689 0.403498 ] [ 0.675101 0.574689 0.096502 ] [ 0.675101 0.925311 0.596502 ] [ 0.324899 0.425311 0.903498 ] [ 0.244849 0.59954 0.473058 ] [ 0.755151 0.09954 0.026942 ] [ 0.755151 0.40046 0.526942 ] [ 0.244849 0.90046 0.973058 ] [ 0.383651 0.662994 0.282418 ] [ 0.383651 0.837006 0.782418 ] [ 0.616349 0.337006 0.717582 ] [ 0.616349 0.162994 0.217582 ] [ 0.123018 0.116529 0.616455 ] [ 0.040748 0.974206 0.213167 ] [ 0.040748 0.525794 0.713167 ] [ 0.959252 0.025794 0.786833 ] [ 0.876982 0.883471 0.383545 ] [ 0.123018 0.383471 0.116455 ] [ 0.876982 0.616529 0.883545 ] [ 0.959252 0.474206 0.286833 ] ] } "species" { "source-value" [ "Os" "Os" "Os" "Os" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.67608771758 "source-unit" "angstrom" } "b" { "source-value" 5.16111457 "source-unit" "angstrom" } "c" { "source-value" 12.6379219411 "source-unit" "angstrom" } "beta" { "source-value" 99.2724327034 "source-unit" "degree" } }