{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.713362 0.5 0.549444 ] [ 0.286638 0.5 0.450556 ] [ 0.125165 0.5 0.584936 ] [ 0.874835 0.5 0.415064 ] [ 0.499745 0.5 0.643364 ] [ 0.500255 0.5 0.356636 ] [ 0.974252 0.5 0.723386 ] [ 0.025748 0.5 0.276614 ] [ 0.745839 0.5 0.739519 ] [ 0.254161 0.5 0.260481 ] [ 0.344501 0.5 0.779971 ] [ 0.655499 0.5 0.220029 ] [ 0.627147 0.5 0.87238 ] [ 0.372853 0.5 0.12762 ] [ 0.191716 0.5 0.917765 ] [ 0.808284 0.5 0.082235 ] [ 0.916683 0.5 0.91654 ] [ 0.083317 0.5 0.08346 ] [ 0 0.5 0.5 ] [ 0.793169 0.5 0.476766 ] [ 0.206831 0.5 0.523234 ] [ 0.414512 0.5 0.541443 ] [ 0.585488 0.5 0.458557 ] [ 0.637806 0.5 0.628986 ] [ 0.362194 0.5 0.371014 ] [ 0.028529 0.5 0.646009 ] [ 0.971471 0.5 0.353991 ] [ 0.824058 0.5 0.658754 ] [ 0.175942 0.5 0.341246 ] [ 0.226221 0.5 0.690018 ] [ 0.773779 0.5 0.309982 ] [ 0.410829 0.5 0.69609 ] [ 0.589171 0.5 0.30391 ] [ 0.610473 0.5 0.754522 ] [ 0.389527 0.5 0.245478 ] [ 0.914249 0.5 0.187958 ] [ 0.081735 0 0.083745 ] [ 0.918265 0 0.916255 ] [ 0.810557 0 0.079114 ] [ 0.189443 0 0.920886 ] [ 0.372593 0 0.132094 ] [ 0.627407 0 0.867906 ] [ 0.650639 0 0.220446 ] [ 0.349361 0 0.779554 ] [ 0.253206 0 0.260582 ] [ 0.746794 0 0.739418 ] [ 0.034242 0 0.277208 ] [ 0.965758 0 0.722792 ] [ 0.491069 0 0.356143 ] [ 0.508931 0 0.643857 ] [ 0.874952 0 0.412102 ] [ 0.125048 0 0.587898 ] [ 0.285419 0 0.449463 ] [ 0.714581 0 0.550537 ] [ 0.308036 0.5 0.021494 ] [ 0.691964 0.5 0.978506 ] [ 0.926501 0.5 0.031377 ] [ 0.073499 0.5 0.968623 ] [ 0.234033 0.5 0.139933 ] [ 0.765967 0.5 0.860067 ] [ 0.710675 0.5 0.140744 ] [ 0.289325 0.5 0.859256 ] [ 0.512255 0.5 0.148685 ] [ 0.487745 0.5 0.851315 ] [ 0.105494 0.5 0.19987 ] [ 0.894506 0.5 0.80013 ] [ 0.085751 0.5 0.812042 ] ] } "species" { "source-value" [ "W" "W" "W" "W" "W" "W" "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" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 14.1975869284 "source-unit" "angstrom" } "b" { "source-value" 3.85950501 "source-unit" "angstrom" } "c" { "source-value" 18.2846448371 "source-unit" "angstrom" } "beta" { "source-value" 109.698925318 "source-unit" "degree" } }