{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.431881 0.20143 0.798276 ] [ 0.568119 0.79857 0.201724 ] [ 0.163751 0.295487 0.163916 ] [ 0.836249 0.704513 0.836084 ] [ 0.246249 0.304007 0.429047 ] [ 0.753751 0.695993 0.570953 ] [ 0.95666 0.164835 0.292172 ] [ 0.04334 0.835165 0.707828 ] [ 0.086204 0.295984 0.302996 ] [ 0.913796 0.704016 0.697004 ] [ 0.272692 0.322217 0.951294 ] [ 0.727308 0.677783 0.048706 ] [ 0.26824 0.011584 0.679606 ] [ 0.73176 0.988416 0.320394 ] [ 0.469091 0.339224 0.644076 ] [ 0.530909 0.660776 0.355924 ] [ 0.693611 0.137201 0.895839 ] [ 0.306389 0.862799 0.104161 ] ] } "species" { "source-value" [ "B" "B" "H" "H" "H" "H" "H" "H" "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" 4.73863079 "source-unit" "angstrom" } "b" { "source-value" 6.14062453 "source-unit" "angstrom" } "c" { "source-value" 6.3751918 "source-unit" "angstrom" } "alpha" { "source-value" 100.31454888 "source-unit" "degree" } "beta" { "source-value" 98.76672759 "source-unit" "degree" } "gamma" { "source-value" 89.05597583 "source-unit" "degree" } }