{ "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" [ [ 0.441142 0.548026 0.442146 ] [ 0.72026 0.654201 0.636224 ] [ 0.561233 0.039678 0.114105 ] [ 0.107772 0.63515 0.373478 ] [ 0.438767 0.539678 0.885895 ] [ 0.943233 0.359345 0.825028 ] [ 0.558858 0.048026 0.557854 ] [ 0.892228 0.13515 0.626522 ] [ 0.113253 0.645609 0.960037 ] [ 0.27974 0.154201 0.363776 ] [ 0.886747 0.145609 0.039963 ] [ 0.940462 0.365361 0.369559 ] [ 0.056767 0.859345 0.174972 ] [ 0.368494 0.769049 0.112053 ] [ 0.059538 0.865361 0.630441 ] [ 0.631506 0.269049 0.887947 ] [ 0.531339 0.405734 0.622073 ] [ 0.784992 0.770839 0.399765 ] [ 0.964365 0.003729 0.360254 ] [ 0.215008 0.270839 0.600235 ] [ 0.468661 0.905734 0.377927 ] [ 0.19724 0.275041 0.126207 ] [ 0.039366 0.502273 0.13475 ] [ 0.538155 0.401227 0.12912 ] [ 0.354343 0.744058 0.650053 ] [ 0.645657 0.244058 0.349947 ] [ 0.960634 0.002273 0.86525 ] [ 0.692811 0.624159 0.139102 ] [ 0.035635 0.503729 0.639746 ] [ 0.80276 0.775041 0.873793 ] [ 0.461845 0.901227 0.87088 ] [ 0.307189 0.124159 0.860898 ] [ 0.406648 0.017053 0.341704 ] [ 0.604465 0.513509 0.077427 ] [ 0.038357 0.197476 0.882074 ] [ 0.09082 0.388933 0.600467 ] [ 0.895983 0.890959 0.821747 ] [ 0.947583 0.704446 0.634274 ] [ 0.104017 0.390959 0.178253 ] [ 0.262343 0.472141 0.882162 ] [ 0.740634 0.099464 0.838142 ] [ 0.426736 0.187741 0.578621 ] [ 0.104689 0.080284 0.621487 ] [ 0.58704 0.817521 0.624971 ] [ 0.072241 0.084946 0.099131 ] [ 0.770914 0.307477 0.675048 ] [ 0.927759 0.584946 0.900869 ] [ 0.715532 0.978888 0.602978 ] [ 0.598314 0.817582 0.126457 ] [ 0.25837 0.596427 0.586451 ] [ 0.758681 0.431714 0.374565 ] [ 0.961643 0.697476 0.117926 ] [ 0.427756 0.191763 0.153874 ] [ 0.41296 0.317521 0.375029 ] [ 0.259366 0.599464 0.161858 ] [ 0.238162 0.808131 0.910066 ] [ 0.573264 0.687741 0.421379 ] [ 0.90918 0.888933 0.399533 ] [ 0.218591 0.927066 0.136925 ] [ 0.781409 0.427066 0.863075 ] [ 0.052417 0.204446 0.365726 ] [ 0.895311 0.580284 0.378513 ] [ 0.401686 0.317582 0.873543 ] [ 0.229086 0.807477 0.324952 ] [ 0.593352 0.517053 0.658296 ] [ 0.572244 0.691763 0.846126 ] [ 0.241319 0.931714 0.625435 ] [ 0.737657 0.972141 0.117838 ] [ 0.284468 0.478888 0.397022 ] [ 0.74163 0.096427 0.413549 ] [ 0.761838 0.308131 0.089934 ] [ 0.395535 0.013509 0.922573 ] ] } "species" { "source-value" [ "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.2175225002 "source-unit" "angstrom" } "b" { "source-value" 26.23510925 "source-unit" "angstrom" } "c" { "source-value" 8.47963201073 "source-unit" "angstrom" } "beta" { "source-value" 90.0470841489 "source-unit" "degree" } }