{ "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" [ [ 0.008191 0.5 0.510471 ] [ 0.508191 0 0.510471 ] [ 0.165033 0.5 0.912528 ] [ 0.837791 0 0.597694 ] [ 0.831202 0.5 0.125534 ] [ 0.174371 0 0.385161 ] [ 0.997316 0 0.018213 ] [ 0.665033 0 0.912528 ] [ 0.337791 0.5 0.597694 ] [ 0.331202 0 0.125534 ] [ 0.674371 0.5 0.385161 ] [ 0.497316 0.5 0.018213 ] [ 0.140281 0.5 0.589568 ] [ 0.955391 0 0.639499 ] [ 0.846062 0 0.959316 ] [ 0.049904 0.5 0.890309 ] [ 0.245422 0.5 0.309277 ] [ 0.857904 0.5 0.460797 ] [ 0.946572 0.5 0.16381 ] [ 0.053909 0 0.331775 ] [ 0.15071 0 0.059349 ] [ 0.640281 0 0.589568 ] [ 0.455391 0.5 0.639499 ] [ 0.346062 0.5 0.959316 ] [ 0.549904 0 0.890309 ] [ 0.745422 0 0.309277 ] [ 0.357904 0 0.460797 ] [ 0.446572 0 0.16381 ] [ 0.553909 0.5 0.331775 ] [ 0.65071 0.5 0.059349 ] ] } "species" { "source-value" [ "La" "La" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "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" 18.78475458 "source-unit" "angstrom" } "b" { "source-value" 3.9659348 "source-unit" "angstrom" } "c" { "source-value" 6.99842083 "source-unit" "angstrom" } "beta" { "source-value" 98.61920241 "source-unit" "degree" } }