{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.500875 0 0.51561 ] [ 0.000875 0.5 0.51561 ] [ 0.001342 0 0.012614 ] [ 0.501342 0.5 0.012614 ] [ 0.514206 0.785343 0.019199 ] [ 0.014206 0.714657 0.019199 ] [ 0.685576 0.5 0.525124 ] [ 0.818008 0 0.503671 ] [ 0.014206 0.285343 0.019199 ] [ 0.514206 0.214657 0.019199 ] [ 0.185576 0 0.525124 ] [ 0.318008 0.5 0.503671 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ca" "Ca" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.08084236 "source-unit" "angstrom" } "b" { "source-value" 11.0858427 "source-unit" "angstrom" } "c" { "source-value" 4.96636157 "source-unit" "angstrom" } "beta" { "source-value" 91.28560363 "source-unit" "degree" } }