{ "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" [ [ 0.497178 0.542449 0.357621 ] [ 0.002822 0.042449 0.142379 ] [ 0.502822 0.457551 0.642379 ] [ 0.997178 0.957551 0.857621 ] [ 0.718132 0.641408 0.332226 ] [ 0.781868 0.141408 0.167774 ] [ 0.281868 0.358592 0.667774 ] [ 0.218132 0.858592 0.832226 ] [ 0.274195 0.5013 0.192288 ] [ 0.225805 0.0013 0.307712 ] [ 0.725805 0.4987 0.807712 ] [ 0.774195 0.9987 0.692288 ] [ 0.386023 0.624646 0.527236 ] [ 0.113977 0.124646 0.972764 ] [ 0.613977 0.375354 0.472764 ] [ 0.886023 0.875354 0.027236 ] ] } "species" { "source-value" [ "B" "B" "B" "B" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.3105087308 "source-unit" "angstrom" } "b" { "source-value" 6.61943157 "source-unit" "angstrom" } "c" { "source-value" 5.8146334499 "source-unit" "angstrom" } "beta" { "source-value" 105.54897212 "source-unit" "degree" } }