{ "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" [ [ 0.468631 0.273049 0.592094 ] [ 0.531369 0.773049 0.907906 ] [ 0.531369 0.726951 0.407906 ] [ 0.468631 0.226951 0.092094 ] [ 0.765346 0.168027 0.889521 ] [ 0.234654 0.668027 0.610479 ] [ 0.234654 0.831973 0.110479 ] [ 0.765346 0.331973 0.389521 ] [ 0.099342 0.444284 0.85022 ] [ 0.900658 0.944284 0.64978 ] [ 0.900658 0.555716 0.14978 ] [ 0.099342 0.055716 0.35022 ] [ 0.268359 0.128882 0.75945 ] [ 0.731641 0.628882 0.74055 ] [ 0.731641 0.871118 0.24055 ] [ 0.268359 0.371118 0.25945 ] [ 0.421756 0.296376 0.831417 ] [ 0.578244 0.796376 0.668583 ] [ 0.578244 0.703624 0.168583 ] [ 0.421756 0.203624 0.331417 ] [ 0.162287 0.172015 0.608943 ] [ 0.837713 0.672015 0.891057 ] [ 0.837713 0.827985 0.391057 ] [ 0.162287 0.327985 0.108943 ] [ 0.213187 0.574761 0.338461 ] [ 0.786813 0.074761 0.161539 ] [ 0.786813 0.425239 0.661539 ] [ 0.213187 0.925239 0.838461 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "B" "B" "B" "B" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.322828862 "source-unit" "angstrom" } "b" { "source-value" 6.27674013 "source-unit" "angstrom" } "c" { "source-value" 12.7539140008 "source-unit" "angstrom" } "beta" { "source-value" 112.11822252 "source-unit" "degree" } }