{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.836012 0.5 0.901254 ] [ 0.999615 0 0.989484 ] [ 0.99604 0 0.493264 ] [ 0.167138 0.5 0.40144 ] [ 0.336012 0 0.901254 ] [ 0.499615 0.5 0.989484 ] [ 0.49604 0.5 0.493264 ] [ 0.667138 0 0.40144 ] [ 0.909349 0.745205 0.219675 ] [ 0.909349 0.254795 0.219675 ] [ 0.824287 0 0.728297 ] [ 0.409349 0.245205 0.219675 ] [ 0.409349 0.754795 0.219675 ] [ 0.324287 0.5 0.728297 ] [ 0.829474 0.5 0.496422 ] [ 0.158714 0.5 0.994229 ] [ 0.329474 0 0.496422 ] [ 0.658714 0 0.994229 ] [ 0.172751 0 0.211589 ] [ 0.084506 0.736795 0.711556 ] [ 0.084506 0.263205 0.711556 ] [ 0.672751 0.5 0.211589 ] [ 0.584506 0.236795 0.711556 ] [ 0.584506 0.763205 0.711556 ] [ 0.912928 0.746329 0.592567 ] [ 0.980689 0.5 0.337304 ] [ 0.84471 0.5 0.104482 ] [ 0.995875 0 0.30569 ] [ 0.994097 0 0.802291 ] [ 0.912928 0.253671 0.592567 ] [ 0.766044 0.728812 0.34234 ] [ 0.766044 0.271188 0.34234 ] [ 0.833641 0 0.097603 ] [ 0.165792 0 0.588699 ] [ 0.246859 0.719038 0.843222 ] [ 0.246859 0.280962 0.843222 ] [ 0.180938 0.5 0.602551 ] [ 0.079782 0.747015 0.092958 ] [ 0.020764 0.5 0.848599 ] [ 0.079782 0.252985 0.092958 ] [ 0.412928 0.246329 0.592567 ] [ 0.480689 0 0.337304 ] [ 0.34471 0 0.104482 ] [ 0.495875 0.5 0.30569 ] [ 0.494097 0.5 0.802291 ] [ 0.412928 0.753671 0.592567 ] [ 0.266044 0.228812 0.34234 ] [ 0.266044 0.771188 0.34234 ] [ 0.333641 0.5 0.097603 ] [ 0.665792 0.5 0.588699 ] [ 0.746859 0.219038 0.843222 ] [ 0.746859 0.780962 0.843222 ] [ 0.680938 0 0.602551 ] [ 0.579782 0.247015 0.092958 ] [ 0.520764 0 0.848599 ] [ 0.579782 0.752985 0.092958 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Nb" "Nb" "Nb" "Nb" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.48576331 "source-unit" "angstrom" } "b" { "source-value" 5.9954774 "source-unit" "angstrom" } "c" { "source-value" 9.84299451 "source-unit" "angstrom" } "beta" { "source-value" 90.00623449 "source-unit" "degree" } }