{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.010299 0.5 0.388523 ] [ 0.206758 0.5 0.16258 ] [ 0.793242 0.5 0.83742 ] [ 0.06951 0 0.247453 ] [ 0.93049 0 0.752547 ] [ 0.989701 0.5 0.611477 ] [ 0.510299 0 0.388523 ] [ 0.706758 0 0.16258 ] [ 0.293242 0 0.83742 ] [ 0.56951 0.5 0.247453 ] [ 0.43049 0.5 0.752547 ] [ 0.489701 0 0.611477 ] [ 0.102207 0.5 0.888014 ] [ 0.897793 0.5 0.111986 ] [ 0.776255 0 0.93024 ] [ 0.223745 0 0.06976 ] [ 0.874064 0 0.185072 ] [ 0.125936 0 0.814928 ] [ 0.602207 0 0.888014 ] [ 0.397793 0 0.111986 ] [ 0.276255 0.5 0.93024 ] [ 0.723745 0.5 0.06976 ] [ 0.374064 0.5 0.185072 ] [ 0.625936 0.5 0.814928 ] ] } "species" { "source-value" [ "Ag" "Ag" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 18.5285225788 "source-unit" "angstrom" } "b" { "source-value" 4.61488367 "source-unit" "angstrom" } "c" { "source-value" 15.8167759366 "source-unit" "angstrom" } "beta" { "source-value" 148.432570094 "source-unit" "degree" } }