{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.8022 0.571499 0.903043 ] [ 0.1978 0.071499 0.596957 ] [ 0.8022 0.928501 0.403043 ] [ 0.1978 0.428501 0.096957 ] [ 0.694845 0.928915 0.811119 ] [ 0.305155 0.428915 0.688881 ] [ 0.694845 0.571085 0.311119 ] [ 0.305155 0.071085 0.188881 ] [ 0.474748 0.715431 0.532971 ] [ 0.525252 0.215431 0.967029 ] [ 0.066596 0.736883 0.240274 ] [ 0.933404 0.236883 0.259726 ] [ 0.066596 0.763117 0.740274 ] [ 0.933404 0.263117 0.759726 ] [ 0.474748 0.784569 0.032971 ] [ 0.525252 0.284569 0.467029 ] [ 0.506762 0.584557 0.651539 ] [ 0.479974 0.880531 0.608465 ] [ 0.632398 0.78377 0.953216 ] [ 0.367602 0.28377 0.546784 ] [ 0.520026 0.380531 0.891535 ] [ 0.25237 0.689631 0.404181 ] [ 0.493238 0.084557 0.848461 ] [ 0.117195 0.248008 0.209246 ] [ 0.12105 0.900358 0.193813 ] [ 0.044274 0.609737 0.122552 ] [ 0.25237 0.810369 0.904181 ] [ 0.955726 0.109737 0.377448 ] [ 0.117195 0.251992 0.709246 ] [ 0.12105 0.599642 0.693813 ] [ 0.87895 0.400358 0.306187 ] [ 0.882805 0.748008 0.290754 ] [ 0.044274 0.890263 0.622552 ] [ 0.74763 0.189631 0.095819 ] [ 0.955726 0.390263 0.877448 ] [ 0.87895 0.099642 0.806187 ] [ 0.882805 0.751992 0.790754 ] [ 0.506762 0.915443 0.151539 ] [ 0.74763 0.310369 0.595819 ] [ 0.479974 0.619469 0.108465 ] [ 0.632398 0.71623 0.453216 ] [ 0.367602 0.21623 0.046784 ] [ 0.520026 0.119469 0.391535 ] [ 0.493238 0.415443 0.348461 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "P" "P" "P" "P" "P" "P" "P" "P" "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" 7.0421525 "source-unit" "angstrom" } "b" { "source-value" 8.48319043 "source-unit" "angstrom" } "c" { "source-value" 9.27149057 "source-unit" "angstrom" } "beta" { "source-value" 112.38836821 "source-unit" "degree" } }