{ "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" [ [ 0.862962 0.641658 0.674412 ] [ 0.862962 0.858342 0.174412 ] [ 0.137038 0.141658 0.825588 ] [ 0.137038 0.358342 0.325588 ] [ 0.352218 0.620509 0.789977 ] [ 0.647782 0.379491 0.210023 ] [ 0.647782 0.120509 0.710023 ] [ 0.352218 0.879491 0.289977 ] [ 0.479053 0.186848 0.862277 ] [ 0.171573 0.029461 0.146416 ] [ 0.828427 0.529461 0.353584 ] [ 0.479053 0.313152 0.362277 ] [ 0.826499 0.190611 0.221465 ] [ 0.828427 0.970539 0.853584 ] [ 0.826499 0.309389 0.721465 ] [ 0.173501 0.809389 0.778535 ] [ 0.520947 0.813152 0.137723 ] [ 0.173501 0.690611 0.278535 ] [ 0.171573 0.470539 0.646416 ] [ 0.520947 0.686848 0.637723 ] [ 0.836038 0.62136 0.972677 ] [ 0.163962 0.12136 0.527323 ] [ 0.836038 0.87864 0.472677 ] [ 0.163962 0.37864 0.027323 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Se" "Se" "Se" "Se" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.54534282379 "source-unit" "angstrom" } "b" { "source-value" 6.89828971 "source-unit" "angstrom" } "c" { "source-value" 7.10315079023 "source-unit" "angstrom" } "beta" { "source-value" 98.0710549442 "source-unit" "degree" } }