{ "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" [ [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0.994936 0.529465 0.735844 ] [ 0.994936 0.970535 0.235844 ] [ 0.005064 0.470535 0.264156 ] [ 0.005064 0.029465 0.764156 ] [ 0.610169 0.794571 0.385846 ] [ 0.610169 0.705429 0.885846 ] [ 0.389831 0.205429 0.614154 ] [ 0.389831 0.294571 0.114154 ] [ 0.713738 0.830663 0.597755 ] [ 0.713738 0.669337 0.097755 ] [ 0.286262 0.169337 0.402245 ] [ 0.286262 0.330663 0.902245 ] [ 0.176172 0.731447 0.622803 ] [ 0.176172 0.768553 0.122803 ] [ 0.823828 0.268553 0.377197 ] [ 0.823828 0.231447 0.877197 ] [ 0.42325 0.665191 0.665951 ] [ 0.42325 0.834809 0.165951 ] [ 0.57675 0.334809 0.334049 ] [ 0.57675 0.165191 0.834049 ] [ 0.222145 0.924424 0.759604 ] [ 0.222145 0.575576 0.259604 ] [ 0.777855 0.075576 0.240396 ] [ 0.777855 0.424424 0.740396 ] [ 0.144915 0.542677 0.758779 ] [ 0.144915 0.957323 0.258779 ] [ 0.855085 0.457323 0.241221 ] [ 0.855085 0.042677 0.741221 ] [ 0.693552 0.733023 0.505739 ] [ 0.693552 0.766977 0.005739 ] [ 0.306448 0.266977 0.494261 ] [ 0.306448 0.233023 0.994261 ] ] } "species" { "source-value" [ "Co" "Co" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "Se" "Se" "Se" "Se" "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" 7.2160594 "source-unit" "angstrom" } "b" { "source-value" 7.00526906 "source-unit" "angstrom" } "c" { "source-value" 8.45501139 "source-unit" "angstrom" } "beta" { "source-value" 118.53725038 "source-unit" "degree" } }