{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.454657 0.75 0.653886 ] [ 0.545343 0.25 0.346114 ] [ 0.044603 0.25 0.844073 ] [ 0.955397 0.75 0.155927 ] [ 0.043087 0.75 0.692746 ] [ 0.143805 0.25 0.062185 ] [ 0.299923 0.25 0.519252 ] [ 0.31348 0.75 0.882728 ] [ 0.300926 0.75 0.252455 ] [ 0.699074 0.25 0.747545 ] [ 0.68652 0.25 0.117272 ] [ 0.700077 0.75 0.480748 ] [ 0.856195 0.75 0.937815 ] [ 0.956913 0.25 0.307254 ] ] } "species" { "source-value" [ "Ba" "Ba" "La" "La" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.20850187 "source-unit" "angstrom" } "b" { "source-value" 4.49657442 "source-unit" "angstrom" } "c" { "source-value" 14.27523752 "source-unit" "angstrom" } "beta" { "source-value" 93.30755632 "source-unit" "degree" } }