{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.833541 0.75 ] [ 0.5 0.166459 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0 0.333541 0.75 ] [ 0 0.666459 0.25 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.831779 0.25 ] [ 0.5 0.168221 0.75 ] [ 0 0.331779 0.25 ] [ 0 0.668221 0.75 ] [ 0.682323 0.103558 0.704844 ] [ 0 0.797868 0.75 ] [ 0 0.202132 0.25 ] [ 0.317677 0.896442 0.295156 ] [ 0.317677 0.103558 0.795156 ] [ 0.682323 0.896442 0.204844 ] [ 0.182323 0.603558 0.704844 ] [ 0.5 0.297868 0.75 ] [ 0.5 0.702132 0.25 ] [ 0.817677 0.396442 0.295156 ] [ 0.817677 0.603558 0.795156 ] [ 0.182323 0.396442 0.204844 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "C" "C" "C" "C" "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" 5.72226112529 "source-unit" "angstrom" } "b" { "source-value" 10.06630837 "source-unit" "angstrom" } "c" { "source-value" 7.03845316999 "source-unit" "angstrom" } "beta" { "source-value" 97.8791878485 "source-unit" "degree" } }