{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.699375 0.104675 0.83099 ] [ 0.612469 0.795559 0.66678 ] [ 0.498234 0.485727 0.841514 ] [ 0.39287 0.194209 0.666227 ] [ 0.28421 0.947906 0.499005 ] [ 0.30178 0.883694 0.826523 ] [ 0.205512 0.609774 0.328566 ] [ 0.111031 0.294882 0.167762 ] [ 0.20453 0.607151 0.667525 ] [ 0.055609 0.282523 0.498029 ] [ 0.112317 0.29233 0.82645 ] [ 0.001114 0.993213 0.340043 ] [ 0.003833 0.998582 0.658457 ] [ 0.892393 0.697734 0.166855 ] [ 0.943164 0.708654 0.500008 ] [ 0.783435 0.445858 0.000094 ] [ 0.804175 0.389691 0.329624 ] [ 0.891176 0.689188 0.828425 ] [ 0.803998 0.386969 0.66471 ] [ 0.701147 0.108006 0.167133 ] [ 0.716068 0.051237 0.498174 ] [ 0.551926 0.780841 0.998391 ] [ 0.60915 0.795075 0.327202 ] [ 0.497772 0.494978 0.158884 ] [ 0.444612 0.208491 0.001834 ] [ 0.392387 0.198537 0.329389 ] [ 0.298079 0.89047 0.166025 ] [ 0.21252 0.548944 0.998611 ] [ 0.001515 0.965806 0.981805 ] [ 0.532324 0.461297 0.484445 ] [ 0.823228 0.030047 0.016674 ] [ 0.749303 0.57431 0.747197 ] [ 0.681573 0.619855 0.920044 ] [ 0.624203 0.315753 0.920839 ] [ 0.575231 0.248211 0.754469 ] [ 0.502417 0.994567 0.616595 ] [ 0.502364 0.99181 0.880956 ] [ 0.419406 0.743938 0.746179 ] [ 0.247415 0.076744 0.250351 ] [ 0.374075 0.675196 0.919742 ] [ 0.321849 0.367035 0.918858 ] [ 0.248196 0.071751 0.743947 ] [ 0.255798 0.419365 0.750681 ] [ 0.179466 0.119615 0.420664 ] [ 0.17928 0.118458 0.579933 ] [ 0.126749 0.818737 0.419727 ] [ 0.076343 0.755295 0.250214 ] [ 0.128163 0.816014 0.580572 ] [ 0.999348 0.494182 0.117791 ] [ 0.083282 0.742621 0.746587 ] [ 0.005369 0.494121 0.382988 ] [ 0.004305 0.496543 0.617468 ] [ 0.924193 0.245076 0.25207 ] [ 0.005065 0.995233 0.878568 ] [ 0.997373 0.488115 0.878325 ] [ 0.877836 0.180087 0.420303 ] [ 0.92717 0.243577 0.741916 ] [ 0.880826 0.17774 0.577131 ] [ 0.81977 0.874255 0.420324 ] [ 0.817959 0.874922 0.578128 ] [ 0.754045 0.577455 0.246567 ] [ 0.753983 0.919996 0.249323 ] [ 0.678477 0.620739 0.078072 ] [ 0.622877 0.319876 0.079261 ] [ 0.746789 0.917512 0.746375 ] [ 0.721894 0.525313 0.512996 ] [ 0.577287 0.249378 0.245706 ] [ 0.499091 0.999038 0.116302 ] [ 0.476576 0.524189 0.383603 ] [ 0.500916 0.996734 0.380875 ] [ 0.436947 0.290355 0.513814 ] [ 0.42036 0.749928 0.244278 ] [ 0.374125 0.677263 0.077551 ] [ 0.32174 0.371002 0.080518 ] [ 0.251224 0.420121 0.244902 ] [ 0.157823 0.063996 0.026258 ] [ 0.01657 0.76593 0.999272 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Mo" "Mo" "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" 8.87171995 "source-unit" "angstrom" } "b" { "source-value" 8.88826679 "source-unit" "angstrom" } "c" { "source-value" 17.27511639 "source-unit" "angstrom" } "alpha" { "source-value" 90.11899163 "source-unit" "degree" } "beta" { "source-value" 90.16029477 "source-unit" "degree" } "gamma" { "source-value" 90.06977892 "source-unit" "degree" } }