{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.667217 0.884149 0.377816 ] [ 0.667217 0.115851 0.877816 ] [ 0.332783 0.115851 0.622184 ] [ 0.332783 0.884149 0.122184 ] [ 0 0.863253 0.75 ] [ 0 0.136747 0.25 ] [ 0 0.393583 0.75 ] [ 0 0.606417 0.25 ] [ 0.167217 0.384149 0.377816 ] [ 0.167217 0.615851 0.877816 ] [ 0.832783 0.615851 0.622184 ] [ 0.832783 0.384149 0.122184 ] [ 0.5 0.363253 0.75 ] [ 0.5 0.636747 0.25 ] [ 0.5 0.893583 0.75 ] [ 0.5 0.106417 0.25 ] [ 0.154126 0.141405 0.939645 ] [ 0.845874 0.141405 0.560355 ] [ 0.845874 0.858595 0.060355 ] [ 0.154126 0.858595 0.439645 ] [ 0.654126 0.641405 0.939645 ] [ 0.345874 0.641405 0.560355 ] [ 0.345874 0.358595 0.060355 ] [ 0.654126 0.358595 0.439645 ] [ 0.591106 0.018323 0.078268 ] [ 0.408894 0.018323 0.421732 ] [ 0.408894 0.981677 0.921732 ] [ 0.591106 0.981677 0.578268 ] [ 0.071835 0.265117 0.082484 ] [ 0.928165 0.265117 0.417516 ] [ 0.928165 0.734883 0.917516 ] [ 0.071835 0.734883 0.582484 ] [ 0.105391 0.221239 0.628093 ] [ 0.894609 0.221239 0.871907 ] [ 0.894609 0.778761 0.371907 ] [ 0.105391 0.778761 0.128093 ] [ 0.23711 0.947225 0.363478 ] [ 0.76289 0.947225 0.136522 ] [ 0.76289 0.052775 0.636522 ] [ 0.23711 0.052775 0.863478 ] [ 0.079298 0.969965 0.485882 ] [ 0.920702 0.969965 0.014118 ] [ 0.228096 0.20333 0.247013 ] [ 0.079298 0.030035 0.985882 ] [ 0.228096 0.79667 0.747013 ] [ 0.771904 0.79667 0.752987 ] [ 0.771904 0.20333 0.252987 ] [ 0.920702 0.030035 0.514118 ] [ 0.091106 0.518323 0.078268 ] [ 0.908894 0.518323 0.421732 ] [ 0.908894 0.481677 0.921732 ] [ 0.091106 0.481677 0.578268 ] [ 0.571835 0.765117 0.082484 ] [ 0.428165 0.765117 0.417516 ] [ 0.428165 0.234883 0.917516 ] [ 0.571835 0.234883 0.582484 ] [ 0.605391 0.721239 0.628093 ] [ 0.394609 0.721239 0.871907 ] [ 0.394609 0.278761 0.371907 ] [ 0.605391 0.278761 0.128093 ] [ 0.73711 0.447225 0.363478 ] [ 0.26289 0.447225 0.136522 ] [ 0.26289 0.552775 0.636522 ] [ 0.73711 0.552775 0.863478 ] [ 0.579298 0.469965 0.485882 ] [ 0.420702 0.469965 0.014118 ] [ 0.728096 0.70333 0.247013 ] [ 0.579298 0.530035 0.985882 ] [ 0.728096 0.29667 0.747013 ] [ 0.271904 0.29667 0.752987 ] [ 0.271904 0.70333 0.252987 ] [ 0.420702 0.530035 0.514118 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 16.4621812237 "source-unit" "angstrom" } "b" { "source-value" 11.0929165251 "source-unit" "angstrom" } "c" { "source-value" 5.38067270865 "source-unit" "angstrom" } "beta" { "source-value" 108.272121825 "source-unit" "degree" } }