{ "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" [ [ 0.990355 0.459107 0.750243 ] [ 0.509645 0.959107 0.749757 ] [ 0.490355 0.040893 0.250243 ] [ 0.009645 0.540893 0.249757 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.789367 0.70554 0.545719 ] [ 0.710633 0.20554 0.954281 ] [ 0.210633 0.29446 0.454281 ] [ 0.289367 0.79446 0.045719 ] [ 0.70289 0.211129 0.546377 ] [ 0.79711 0.711129 0.953623 ] [ 0.29711 0.788871 0.453623 ] [ 0.20289 0.288871 0.046377 ] [ 0.086802 0.028691 0.753452 ] [ 0.413198 0.528691 0.746548 ] [ 0.913198 0.971309 0.246548 ] [ 0.586802 0.471309 0.253452 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Lu" "Lu" "Bi" "Bi" "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" 5.90670762927 "source-unit" "angstrom" } "b" { "source-value" 6.00731833 "source-unit" "angstrom" } "c" { "source-value" 8.40829378267 "source-unit" "angstrom" } "beta" { "source-value" 90.0952946407 "source-unit" "degree" } }