{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.861235 0.343269 0.224863 ] [ 0.138765 0.843269 0.275137 ] [ 0.861235 0.156731 0.724863 ] [ 0.138765 0.656731 0.775137 ] [ 0.3281 0.306637 0.231356 ] [ 0.6719 0.806637 0.268644 ] [ 0.3281 0.193363 0.731356 ] [ 0.6719 0.693363 0.768644 ] [ 0.369401 0.750923 0.141538 ] [ 0.689592 0.630376 0.041807 ] [ 0.825985 0.010673 0.223434 ] [ 0.059861 0.162621 0.082047 ] [ 0.630599 0.250923 0.358462 ] [ 0.940139 0.662621 0.417953 ] [ 0.174015 0.510673 0.276566 ] [ 0.689592 0.869624 0.541807 ] [ 0.310408 0.130376 0.458193 ] [ 0.825985 0.489327 0.723434 ] [ 0.059861 0.337379 0.582047 ] [ 0.369401 0.749077 0.641538 ] [ 0.940139 0.837379 0.917953 ] [ 0.174015 0.989327 0.776566 ] [ 0.310408 0.369624 0.958193 ] [ 0.630599 0.249077 0.858462 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Bi" "Bi" "Bi" "Bi" "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" 7.58485016 "source-unit" "angstrom" } "b" { "source-value" 7.36045098 "source-unit" "angstrom" } "c" { "source-value" 7.86543314 "source-unit" "angstrom" } "beta" { "source-value" 119.65628342 "source-unit" "degree" } }