{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.572055 0.896549 ] [ 0.75 0.427945 0.103451 ] [ 0.75 0.8275 0.053314 ] [ 0.75 0.927945 0.396549 ] [ 0.75 0.3275 0.446686 ] [ 0.25 0.6725 0.553314 ] [ 0.25 0.1725 0.946686 ] [ 0.25 0.072055 0.603451 ] [ 0.25 0.637351 0.258816 ] [ 0.25 0.137351 0.241184 ] [ 0.75 0.362649 0.741184 ] [ 0.75 0.862649 0.758816 ] [ 0.25 0.403118 0.271323 ] [ 0.25 0.903118 0.228677 ] [ 0.75 0.096882 0.771323 ] [ 0.75 0.596882 0.728677 ] [ 0.75 0.503759 0.663032 ] [ 0.25 0.628488 0.121816 ] [ 0.25 0.496241 0.336968 ] [ 0.75 0.371512 0.878184 ] [ 0.25 0.770879 0.331646 ] [ 0.25 0.996241 0.163032 ] [ 0.75 0.229121 0.668354 ] [ 0.25 0.128488 0.378184 ] [ 0.75 0.729121 0.831646 ] [ 0.75 0.871512 0.621816 ] [ 0.75 0.003759 0.836968 ] [ 0.25 0.270879 0.168354 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "B" "B" "B" "B" "H" "H" "H" "H" "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" 3.54370117 "source-unit" "angstrom" } "b" { "source-value" 8.6848451 "source-unit" "angstrom" } "c" { "source-value" 9.95542204 "source-unit" "angstrom" } }