{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.018194 0.283696 0.408888 ] [ 0.981806 0.783696 0.591112 ] [ 0.340753 0.51939 0.917903 ] [ 0.659247 0.01939 0.082097 ] [ 0.829307 0.242743 0.768005 ] [ 0.170693 0.742743 0.231995 ] [ 0.853636 0.734914 0.881308 ] [ 0.146364 0.234914 0.118692 ] [ 0.579171 0.465495 0.447351 ] [ 0.420829 0.965495 0.552649 ] [ 0.660964 0.716108 0.824229 ] [ 0.339036 0.216108 0.175771 ] [ 0.5617 0.271606 0.402958 ] [ 0.4383 0.771606 0.597042 ] [ 0.614255 0.961861 0.371148 ] [ 0.385745 0.461861 0.628852 ] [ 0.298432 0.011173 0.789941 ] [ 0.701568 0.511173 0.210059 ] [ 0.682539 0.258404 0.867545 ] [ 0.317461 0.758404 0.132455 ] [ 0.97229 0.226195 0.667258 ] [ 0.02771 0.726195 0.332742 ] [ 0.904779 0.92256 0.827992 ] [ 0.095221 0.42256 0.172008 ] [ 0.899896 0.740619 0.032915 ] [ 0.100104 0.240619 0.967085 ] [ 0.937059 0.564729 0.831121 ] [ 0.062941 0.064729 0.168879 ] [ 0.635881 0.45643 0.601206 ] [ 0.364119 0.95643 0.398794 ] [ 0.721755 0.564339 0.402354 ] [ 0.278245 0.064339 0.597646 ] [ 0.384218 0.548756 0.386558 ] [ 0.615782 0.048756 0.613442 ] [ 0.271338 0.482449 0.646832 ] [ 0.728662 0.982449 0.353168 ] [ 0.648718 0.412932 0.140536 ] [ 0.351282 0.912932 0.859464 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "U" "U" "P" "P" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "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" 7.82665908 "source-unit" "angstrom" } "b" { "source-value" 6.95730294 "source-unit" "angstrom" } "c" { "source-value" 10.74040988 "source-unit" "angstrom" } "beta" { "source-value" 111.14719457 "source-unit" "degree" } }