{ "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" [ [ 0.836689 0.25 0.156016 ] [ 0.163311 0.75 0.843984 ] [ 0.904822 0.25 0.826739 ] [ 0.095178 0.75 0.173261 ] [ 0.284087 0.25 0.113727 ] [ 0.715913 0.75 0.886273 ] [ 0.18051 0.134989 0.373486 ] [ 0.81949 0.634989 0.626514 ] [ 0.81949 0.865011 0.626514 ] [ 0.18051 0.365011 0.373486 ] [ 0.138404 0.037798 0.813985 ] [ 0.861596 0.537798 0.186015 ] [ 0.861596 0.962202 0.186015 ] [ 0.138404 0.462202 0.813985 ] [ 0.304685 0.96729 0.147376 ] [ 0.695315 0.46729 0.852624 ] [ 0.695315 0.03271 0.852624 ] [ 0.304685 0.53271 0.147376 ] [ 0.022818 0.100417 0.054888 ] [ 0.977182 0.600417 0.945112 ] [ 0.977182 0.899583 0.945112 ] [ 0.022818 0.399583 0.054888 ] [ 0.413199 0.25 0.786809 ] [ 0.586801 0.75 0.213191 ] [ 0.676107 0.098527 0.426337 ] [ 0.323893 0.598527 0.573663 ] [ 0.323893 0.901473 0.573663 ] [ 0.676107 0.401473 0.426337 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Rh" "Rh" "Rh" "Rh" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.14972977862 "source-unit" "angstrom" } "b" { "source-value" 13.89737371 "source-unit" "angstrom" } "c" { "source-value" 9.24971194943 "source-unit" "angstrom" } "beta" { "source-value" 111.004492747 "source-unit" "degree" } }