{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.682216 0.891233 ] [ 0.25 0.379162 0.471348 ] [ 0.75 0.879162 0.028652 ] [ 0.75 0.971218 0.839862 ] [ 0.25 0.182216 0.608767 ] [ 0.25 0.740753 0.267625 ] [ 0.75 0.111301 0.491227 ] [ 0.75 0.560983 0.140144 ] [ 0.25 0.317784 0.108767 ] [ 0.25 0.028782 0.160138 ] [ 0.25 0.471218 0.660138 ] [ 0.25 0.759247 0.767625 ] [ 0.75 0.528782 0.339862 ] [ 0.75 0.939017 0.640144 ] [ 0.25 0.611301 0.008773 ] [ 0.75 0.259247 0.732375 ] [ 0.75 0.240753 0.232375 ] [ 0.75 0.620838 0.528652 ] [ 0.75 0.817784 0.391233 ] [ 0.25 0.120838 0.971348 ] [ 0.25 0.888699 0.508773 ] [ 0.75 0.388699 0.991227 ] [ 0.25 0.439017 0.859856 ] [ 0.25 0.060983 0.359856 ] [ 0.75 0.133597 0.076162 ] [ 0.25 0.633597 0.423839 ] [ 0.25 0.866403 0.923839 ] [ 0.75 0.366403 0.576161 ] [ 0.25 0.76825 0.127039 ] [ 0.25 0.73175 0.627039 ] [ 0.25 0.042979 0.736537 ] [ 0.75 0.26825 0.372961 ] [ 0.75 0.542979 0.763463 ] [ 0.25 0.457021 0.236537 ] [ 0.75 0.957021 0.263463 ] [ 0.75 0.23175 0.872961 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Ag" "Ag" "Ag" "Ag" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.9826871 "source-unit" "angstrom" } "b" { "source-value" 11.38229228 "source-unit" "angstrom" } "c" { "source-value" 21.46912452 "source-unit" "angstrom" } }