{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.50048 0.24016 0.749406 ] [ 0.00048 0.75984 0.249406 ] [ 0.982166 0.704468 0.748163 ] [ 0.482166 0.295532 0.248163 ] [ 0.497296 0.758373 0.999381 ] [ 0.997296 0.241627 0.499381 ] [ 0.499465 0.755453 0.50018 ] [ 0.999465 0.244547 0.00018 ] [ 0.548055 0.715467 0.254696 ] [ 0.240469 0.495379 0.038446 ] [ 0.253885 0.508529 0.4679 ] [ 0.753885 0.491471 0.9679 ] [ 0.740469 0.504621 0.538446 ] [ 0.048055 0.284533 0.754696 ] [ 0.89903 0.240101 0.242439 ] [ 0.299495 0.032309 0.451251 ] [ 0.279658 0.042381 0.048139 ] [ 0.779658 0.957619 0.548139 ] [ 0.799495 0.967691 0.951251 ] [ 0.39903 0.759899 0.742439 ] ] } "species" { "source-value" [ "Ba" "Ba" "Nd" "Nd" "Ni" "Ni" "Sb" "Sb" "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" 5.74496463346 "source-unit" "angstrom" } "b" { "source-value" 5.80133668 "source-unit" "angstrom" } "c" { "source-value" 8.04187518864 "source-unit" "angstrom" } "beta" { "source-value" 90.0505589309 "source-unit" "degree" } }