{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.757328 0.5 0.292896 ] [ 0.89538 0 0.249736 ] [ 0.104431 0.5 0.749267 ] [ 0.24222 0.324149 0.029539 ] [ 0.24222 0.675851 0.029539 ] [ 0.260905 0.827618 0.530477 ] [ 0.260905 0.172382 0.530477 ] [ 0.394192 0 0.249126 ] [ 0.604495 0.5 0.750895 ] [ 0.743176 0.323175 0.470756 ] [ 0.743176 0.676825 0.470756 ] [ 0.76083 0.827325 0.970073 ] [ 0.76083 0.172675 0.970073 ] [ 0.221461 0 0.056571 ] [ 0.218872 0.277365 0.342456 ] [ 0.218872 0.722635 0.342456 ] [ 0.279267 0.775083 0.842105 ] [ 0.279267 0.224917 0.842105 ] [ 0.283945 0.5 0.556462 ] [ 0.720069 0 0.442518 ] [ 0.721682 0.726528 0.15765 ] [ 0.721682 0.273472 0.15765 ] [ 0.781001 0.775751 0.658321 ] [ 0.781001 0.224249 0.658321 ] [ 0.782683 0.5 0.943256 ] [ 0.047135 0.860185 0.620155 ] [ 0.047135 0.139815 0.620155 ] [ 0.066556 0.5 0.004607 ] [ 0.079124 0.864628 0.785116 ] [ 0.079124 0.135372 0.785116 ] [ 0.079801 0.263312 0.926907 ] [ 0.079801 0.736688 0.926907 ] [ 0.085609 0.3669 0.534839 ] [ 0.085609 0.6331 0.534839 ] [ 0.152209 0.869186 0.294506 ] [ 0.152209 0.130814 0.294506 ] [ 0.149515 0 0.155305 ] [ 0.355685 0.5 0.656873 ] [ 0.355086 0.373986 0.793773 ] [ 0.355086 0.626014 0.793773 ] [ 0.41786 0.134467 0.035016 ] [ 0.41786 0.865533 0.035016 ] [ 0.413191 0.760583 0.428223 ] [ 0.413191 0.239417 0.428223 ] [ 0.429274 0.369624 0.289624 ] [ 0.429274 0.630376 0.289624 ] [ 0.437399 0 0.504018 ] [ 0.452529 0.35814 0.121074 ] [ 0.452529 0.64186 0.121074 ] [ 0.546938 0.860026 0.879438 ] [ 0.546938 0.139974 0.879438 ] [ 0.565881 0.5 0.49504 ] [ 0.579877 0.86555 0.713977 ] [ 0.579877 0.13445 0.713977 ] [ 0.580592 0.263368 0.573053 ] [ 0.580592 0.736632 0.573053 ] [ 0.585457 0.366665 0.964594 ] [ 0.585457 0.633335 0.964594 ] [ 0.636703 0.871199 0.204547 ] [ 0.636703 0.128801 0.204547 ] [ 0.636165 0 0.344676 ] [ 0.855418 0.5 0.843109 ] [ 0.854667 0.374081 0.706383 ] [ 0.854667 0.625919 0.706383 ] [ 0.916147 0.864383 0.463466 ] [ 0.916147 0.135617 0.463466 ] [ 0.923346 0.762512 0.073253 ] [ 0.923346 0.237488 0.073253 ] [ 0.909736 0.366846 0.218737 ] [ 0.909736 0.633154 0.218737 ] [ 0.933801 0 0.995875 ] [ 0.941065 0.363083 0.376827 ] [ 0.941065 0.636917 0.376827 ] ] } "species" { "source-value" [ "Li" "Li" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "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" "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" 5.27468055 "source-unit" "angstrom" } "b" { "source-value" 10.76840118 "source-unit" "angstrom" } "c" { "source-value" 17.77159868 "source-unit" "angstrom" } "beta" { "source-value" 90.34587521 "source-unit" "degree" } }