{ "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" [ [ 0.244008 0.488264 0.226977 ] [ 0.244008 0.011736 0.226977 ] [ 0.755992 0.511736 0.773023 ] [ 0.755992 0.988264 0.773023 ] [ 0.777586 0.75 0.363514 ] [ 0.222414 0.25 0.636486 ] [ 0.711483 0.25 0.428514 ] [ 0.288517 0.75 0.571486 ] [ 0.729106 0.75 0.086974 ] [ 0.270894 0.25 0.913026 ] [ 0.298517 0.25 0.039673 ] [ 0.93478 0.75 0.150424 ] [ 0.552196 0.75 0.170337 ] [ 0.770332 0.068944 0.349261 ] [ 0.770332 0.431056 0.349261 ] [ 0.146591 0.75 0.432763 ] [ 0.446069 0.25 0.457833 ] [ 0.553931 0.75 0.542167 ] [ 0.853409 0.25 0.567237 ] [ 0.229668 0.568944 0.650739 ] [ 0.229668 0.931056 0.650739 ] [ 0.447804 0.25 0.829663 ] [ 0.06522 0.25 0.849576 ] [ 0.701483 0.75 0.960327 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Er" "Er" "P" "P" "C" "C" "O" "O" "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" 5.7740245 "source-unit" "angstrom" } "b" { "source-value" 7.12188906 "source-unit" "angstrom" } "c" { "source-value" 9.85425701 "source-unit" "angstrom" } "beta" { "source-value" 92.00239678 "source-unit" "degree" } }