{ "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" [ [ 0.491963 0.459628 0.751189 ] [ 0.991963 0.040372 0.251189 ] [ 0.508037 0.540372 0.248811 ] [ 0.008037 0.959628 0.748811 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.786956 0.800712 0.458509 ] [ 0.286956 0.699288 0.958509 ] [ 0.416109 0.972779 0.256535 ] [ 0.083891 0.472779 0.243465 ] [ 0.301762 0.714493 0.54594 ] [ 0.698238 0.285507 0.45406 ] [ 0.801762 0.785507 0.04594 ] [ 0.213044 0.199288 0.541491 ] [ 0.713044 0.300712 0.041491 ] [ 0.583891 0.027221 0.743465 ] [ 0.198238 0.214493 0.95406 ] [ 0.916109 0.527221 0.756535 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "U" "U" "Mn" "Mn" "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" 5.88595423216 "source-unit" "angstrom" } "b" { "source-value" 5.97477071 "source-unit" "angstrom" } "c" { "source-value" 8.35398429333 "source-unit" "angstrom" } "beta" { "source-value" 90.1402574402 "source-unit" "degree" } }