{ "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" [ [ 0.507881 0.153091 0.097739 ] [ 0.064193 0.143769 0.096834 ] [ 0.28487 0.442484 0.183302 ] [ 0.61622 0.831263 0.189496 ] [ 0.996868 0.818577 0.173912 ] [ 0.633508 0.672906 0.310364 ] [ 0.260007 0.680951 0.325891 ] [ 0.961784 0.05503 0.315026 ] [ 0.746737 0.352464 0.405134 ] [ 0.185422 0.352329 0.401932 ] [ 0.814578 0.852329 0.598068 ] [ 0.253263 0.852464 0.594866 ] [ 0.038216 0.55503 0.684974 ] [ 0.739993 0.180951 0.674109 ] [ 0.366492 0.172906 0.689636 ] [ 0.003132 0.318577 0.826088 ] [ 0.38378 0.331263 0.810504 ] [ 0.71513 0.942484 0.816698 ] [ 0.935807 0.643769 0.903166 ] [ 0.492119 0.653091 0.902261 ] [ 0.760473 0.792015 0.045139 ] [ 0.263626 0.787698 0.03983 ] [ 0.735643 0.486591 0.171438 ] [ 0.514505 0.019443 0.331172 ] [ 0.485287 0.700161 0.458269 ] [ 0.991978 0.717253 0.454616 ] [ 0.514713 0.200161 0.541731 ] [ 0.008022 0.217253 0.545384 ] [ 0.485495 0.519443 0.668828 ] [ 0.264357 0.986591 0.828562 ] [ 0.736374 0.287698 0.96017 ] [ 0.239527 0.292015 0.954861 ] [ 0.497075 0.013916 0.022929 ] [ 0.02604 0.020559 0.019284 ] [ 0.277635 0.310459 0.08086 ] [ 0.697223 0.311994 0.07511 ] [ 0.991631 0.633133 0.113781 ] [ 0.525434 0.676924 0.122822 ] [ 0.212499 0.967175 0.141682 ] [ 0.799964 0.974127 0.14482 ] [ 0.077192 0.332018 0.225424 ] [ 0.473528 0.327695 0.220301 ] [ 0.773316 0.175177 0.280016 ] [ 0.167229 0.159802 0.271003 ] [ 0.45485 0.524255 0.355017 ] [ 0.038419 0.531887 0.357338 ] [ 0.727498 0.826354 0.376352 ] [ 0.256462 0.865613 0.38642 ] [ 0.559133 0.190636 0.426833 ] [ 0.971503 0.192382 0.421852 ] [ 0.755314 0.495186 0.479695 ] [ 0.227501 0.475784 0.478633 ] [ 0.772499 0.975784 0.521367 ] [ 0.244686 0.995186 0.520305 ] [ 0.028497 0.692382 0.578148 ] [ 0.440867 0.690636 0.573167 ] [ 0.743538 0.365613 0.61358 ] [ 0.272502 0.326354 0.623648 ] [ 0.961581 0.031887 0.642662 ] [ 0.54515 0.024255 0.644983 ] [ 0.832771 0.659802 0.728997 ] [ 0.226684 0.675177 0.719984 ] [ 0.526472 0.827695 0.779699 ] [ 0.922808 0.832018 0.774576 ] [ 0.200036 0.474127 0.85518 ] [ 0.787501 0.467175 0.858318 ] [ 0.474566 0.176924 0.877178 ] [ 0.008369 0.133133 0.886219 ] [ 0.302777 0.811994 0.92489 ] [ 0.722365 0.810459 0.91914 ] [ 0.502925 0.513916 0.977071 ] [ 0.97396 0.520559 0.980716 ] ] } "species" { "source-value" [ "As" "As" "As" "As" "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" "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" 8.60776204 "source-unit" "angstrom" } "b" { "source-value" 8.75036912 "source-unit" "angstrom" } "c" { "source-value" 25.59073796 "source-unit" "angstrom" } "beta" { "source-value" 91.14385542 "source-unit" "degree" } }