{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.948446 0.508018 0.000988 ] [ 0.497163 0.817305 0.841886 ] [ 0.578971 0.482576 0.509712 ] [ 0.421029 0.982576 0.490288 ] [ 0.502837 0.317305 0.158114 ] [ 0.051554 0.008018 0.999012 ] [ 0.00711 0.247173 0.692324 ] [ 0.99289 0.747173 0.307676 ] [ 0.992974 0.760211 0.701287 ] [ 0.007026 0.260211 0.298713 ] [ 0.508042 0.268639 0.860623 ] [ 0.491958 0.768639 0.139377 ] [ 0.695021 0.305241 0.955552 ] [ 0.297076 0.202074 0.916089 ] [ 0.85801 0.914156 0.80317 ] [ 0.035958 0.574097 0.797331 ] [ 0.523092 0.293424 0.7109 ] [ 0.255559 0.838154 0.651225 ] [ 0.806305 0.714332 0.56151 ] [ 0.193695 0.214332 0.43849 ] [ 0.744441 0.338154 0.348775 ] [ 0.476908 0.793424 0.2891 ] [ 0.964042 0.074097 0.202669 ] [ 0.14199 0.414156 0.19683 ] [ 0.702924 0.702074 0.083911 ] [ 0.304979 0.805241 0.044448 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Tl" "Tl" "P" "P" "C" "C" "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" 5.22786881 "source-unit" "angstrom" } "b" { "source-value" 6.95527869 "source-unit" "angstrom" } "c" { "source-value" 8.7004 "source-unit" "angstrom" } "beta" { "source-value" 91.70814307 "source-unit" "degree" } }