{ "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" [ [ 0.055289 0.25 0.843238 ] [ 0.944711 0.75 0.156762 ] [ 0.436448 0.75 0.653859 ] [ 0.563552 0.25 0.346141 ] [ 0.079428 0.75 0.660297 ] [ 0.154826 0.25 0.075588 ] [ 0.329571 0.25 0.520186 ] [ 0.362702 0.75 0.858564 ] [ 0.362818 0.75 0.28294 ] [ 0.637182 0.25 0.71706 ] [ 0.637298 0.25 0.141436 ] [ 0.670429 0.75 0.479814 ] [ 0.845174 0.75 0.924412 ] [ 0.920572 0.25 0.339703 ] ] } "species" { "source-value" [ "Ba" "Ba" "La" "La" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.77929158 "source-unit" "angstrom" } "b" { "source-value" 4.57513517 "source-unit" "angstrom" } "c" { "source-value" 13.06369199 "source-unit" "angstrom" } "beta" { "source-value" 92.92765756 "source-unit" "degree" } }