{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.832628 0 0.757725 ] [ 0.167372 0 0.242275 ] [ 0.332628 0.5 0.757725 ] [ 0.667372 0.5 0.242275 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.833075 0 0.24875 ] [ 0.166925 0 0.75125 ] [ 0.333075 0.5 0.24875 ] [ 0.666925 0.5 0.75125 ] [ 0.102168 0.213377 0.79069 ] [ 0.897832 0.213377 0.20931 ] [ 0.897832 0.786623 0.20931 ] [ 0.102168 0.786623 0.79069 ] [ 0.704149 0 0.322585 ] [ 0.295851 0 0.677415 ] [ 0.602168 0.713377 0.79069 ] [ 0.397832 0.713377 0.20931 ] [ 0.397832 0.286623 0.20931 ] [ 0.602168 0.286623 0.79069 ] [ 0.204149 0.5 0.322585 ] [ 0.795851 0.5 0.677415 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Na" "Na" "Na" "Na" "B" "B" "B" "B" "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" 9.69169269 "source-unit" "angstrom" } "b" { "source-value" 5.63426696 "source-unit" "angstrom" } "c" { "source-value" 6.26954802 "source-unit" "angstrom" } "beta" { "source-value" 99.00744274 "source-unit" "degree" } }