{ "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" [ [ 0.994003 0.490566 0.252006 ] [ 0.494003 0.009434 0.752006 ] [ 0.505997 0.990566 0.247994 ] [ 0.005997 0.509434 0.747994 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.068964 0.005648 0.272861 ] [ 0.713194 0.256076 0.037746 ] [ 0.73854 0.71826 0.036796 ] [ 0.786806 0.756076 0.462254 ] [ 0.76146 0.21826 0.463204 ] [ 0.23854 0.78174 0.536796 ] [ 0.931036 0.994352 0.727139 ] [ 0.286806 0.743924 0.962254 ] [ 0.213194 0.243924 0.537746 ] [ 0.568964 0.494352 0.772861 ] [ 0.26146 0.28174 0.963204 ] [ 0.431036 0.505648 0.227139 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "La" "La" "Ta" "Ta" "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" 6.20640256133 "source-unit" "angstrom" } "b" { "source-value" 6.1493321 "source-unit" "angstrom" } "c" { "source-value" 8.69010151065 "source-unit" "angstrom" } "beta" { "source-value" 90.5194450205 "source-unit" "degree" } }