{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.005889 0.196958 0.997583 ] [ 0.005889 0.803042 0.497583 ] [ 0.139438 0.563506 0.746606 ] [ 0.168371 0.092718 0.749207 ] [ 0.225362 0.915414 0.998764 ] [ 0.139438 0.436494 0.246606 ] [ 0.756425 0.948576 0.996871 ] [ 0.168371 0.907282 0.249207 ] [ 0.225362 0.084586 0.498764 ] [ 0.756425 0.051424 0.496871 ] [ 0.886177 0.318291 0.747954 ] [ 0.921932 0.840067 0.746175 ] [ 0.974733 0.665498 0.997699 ] [ 0.886177 0.681709 0.247954 ] [ 0.921932 0.159933 0.246175 ] [ 0.974733 0.334502 0.497699 ] [ 0.505889 0.696958 0.997583 ] [ 0.505889 0.303042 0.497583 ] [ 0.639438 0.063506 0.746606 ] [ 0.668371 0.592718 0.749207 ] [ 0.725362 0.415414 0.998764 ] [ 0.639438 0.936494 0.246606 ] [ 0.256425 0.448576 0.996871 ] [ 0.668371 0.407282 0.249207 ] [ 0.725362 0.584586 0.498764 ] [ 0.256425 0.551424 0.496871 ] [ 0.386177 0.818291 0.747954 ] [ 0.421932 0.340067 0.746175 ] [ 0.474733 0.165498 0.997699 ] [ 0.386177 0.181709 0.247954 ] [ 0.421932 0.659933 0.246175 ] [ 0.474733 0.834502 0.497699 ] [ 0.07575 0.80531 0.870393 ] [ 0.10898 0.33724 0.870376 ] [ 0.07575 0.19469 0.370393 ] [ 0.10898 0.66276 0.370376 ] [ 0.162886 0.841223 0.620497 ] [ 0.194929 0.312574 0.62061 ] [ 0.162886 0.158777 0.120497 ] [ 0.194929 0.687426 0.12061 ] [ 0.82614 0.55273 0.871198 ] [ 0.858481 0.088236 0.868503 ] [ 0.82614 0.44727 0.371198 ] [ 0.858481 0.911764 0.368503 ] [ 0.915264 0.093137 0.620155 ] [ 0.943202 0.559498 0.62005 ] [ 0.915264 0.906863 0.120155 ] [ 0.943202 0.440502 0.12005 ] [ 0.57575 0.30531 0.870393 ] [ 0.60898 0.83724 0.870376 ] [ 0.57575 0.69469 0.370393 ] [ 0.60898 0.16276 0.370376 ] [ 0.662886 0.341223 0.620497 ] [ 0.694929 0.812574 0.62061 ] [ 0.662886 0.658777 0.120497 ] [ 0.694929 0.187426 0.12061 ] [ 0.32614 0.05273 0.871198 ] [ 0.358481 0.588236 0.868503 ] [ 0.32614 0.94727 0.371198 ] [ 0.358481 0.411764 0.368503 ] [ 0.415264 0.593137 0.620155 ] [ 0.443202 0.059498 0.62005 ] [ 0.415264 0.406863 0.120155 ] [ 0.443202 0.940502 0.12005 ] [ 0.00886 0.092436 0.809559 ] [ 0.00886 0.907564 0.309559 ] [ 0.073994 0.093473 0.560097 ] [ 0.101857 0.563959 0.558925 ] [ 0.073994 0.906527 0.060097 ] [ 0.101857 0.436041 0.058925 ] [ 0.229967 0.811357 0.811307 ] [ 0.761219 0.841456 0.809669 ] [ 0.229967 0.188643 0.311307 ] [ 0.761219 0.158544 0.309669 ] [ 0.82258 0.34235 0.560259 ] [ 0.853113 0.814002 0.55817 ] [ 0.82258 0.65765 0.060259 ] [ 0.853113 0.185998 0.05817 ] [ 0.98184 0.561697 0.811221 ] [ 0.98184 0.438303 0.311221 ] [ 0.50886 0.592436 0.809559 ] [ 0.50886 0.407564 0.309559 ] [ 0.573994 0.593473 0.560097 ] [ 0.601857 0.063959 0.558925 ] [ 0.573994 0.406527 0.060097 ] [ 0.601857 0.936041 0.058925 ] [ 0.729967 0.311357 0.811307 ] [ 0.261219 0.341456 0.809669 ] [ 0.729967 0.688643 0.311307 ] [ 0.261219 0.658544 0.309669 ] [ 0.32258 0.84235 0.560259 ] [ 0.353113 0.314002 0.55817 ] [ 0.32258 0.15765 0.060259 ] [ 0.353113 0.685998 0.05817 ] [ 0.48184 0.061697 0.811221 ] [ 0.48184 0.938303 0.311221 ] [ 0.003265 0.667633 0.887362 ] [ 0.018825 0.931513 0.797392 ] [ 0.05534 0.469123 0.799678 ] [ 0.082716 0.335078 0.979748 ] [ 0.003265 0.332367 0.387362 ] [ 0.026821 0.479146 0.575535 ] [ 0.113089 0.870947 0.978599 ] [ 0.092874 0.16275 0.821481 ] [ 0.018825 0.068487 0.297392 ] [ 0.070143 0.932168 0.575441 ] [ 0.05534 0.530877 0.299678 ] [ 0.082716 0.664922 0.479748 ] [ 0.026821 0.520854 0.075535 ] [ 0.130297 0.660269 0.638832 ] [ 0.131524 0.161375 0.636948 ] [ 0.158522 0.718068 0.828389 ] [ 0.113089 0.129053 0.478599 ] [ 0.092874 0.83725 0.321481 ] [ 0.070143 0.067832 0.075441 ] [ 0.169153 0.459281 0.544751 ] [ 0.217024 0.376465 0.887778 ] [ 0.202682 0.904443 0.729794 ] [ 0.20646 0.398445 0.727219 ] [ 0.130297 0.339731 0.138832 ] [ 0.131524 0.838625 0.136948 ] [ 0.158522 0.281932 0.328389 ] [ 0.754422 0.414526 0.888716 ] [ 0.76885 0.679522 0.798961 ] [ 0.235066 0.89753 0.550205 ] [ 0.169153 0.540719 0.044751 ] [ 0.217024 0.623535 0.387778 ] [ 0.202682 0.095557 0.229794 ] [ 0.20646 0.601555 0.227219 ] [ 0.80339 0.22026 0.797852 ] [ 0.832446 0.08732 0.978126 ] [ 0.754422 0.585474 0.388716 ] [ 0.778086 0.730928 0.576498 ] [ 0.862645 0.617869 0.979999 ] [ 0.845429 0.910542 0.822729 ] [ 0.76885 0.320478 0.298961 ] [ 0.235066 0.10247 0.050205 ] [ 0.821269 0.180801 0.574411 ] [ 0.80339 0.77974 0.297852 ] [ 0.832446 0.91268 0.478126 ] [ 0.778086 0.269072 0.076498 ] [ 0.87784 0.410962 0.638737 ] [ 0.884107 0.911951 0.636382 ] [ 0.862645 0.382131 0.479999 ] [ 0.909674 0.469967 0.828207 ] [ 0.845429 0.089458 0.322729 ] [ 0.821269 0.819199 0.074411 ] [ 0.919535 0.70725 0.544517 ] [ 0.966862 0.123706 0.889871 ] [ 0.949755 0.152569 0.731298 ] [ 0.959018 0.648679 0.726192 ] [ 0.87784 0.589038 0.138737 ] [ 0.884107 0.088049 0.136382 ] [ 0.909674 0.530033 0.328207 ] [ 0.919535 0.29275 0.044517 ] [ 0.98742 0.152118 0.550998 ] [ 0.966862 0.876294 0.389871 ] [ 0.949755 0.847431 0.231298 ] [ 0.959018 0.351321 0.226192 ] [ 0.98742 0.847882 0.050998 ] [ 0.503265 0.167633 0.887362 ] [ 0.518825 0.431513 0.797392 ] [ 0.55534 0.969123 0.799678 ] [ 0.582716 0.835078 0.979748 ] [ 0.503265 0.832367 0.387362 ] [ 0.526821 0.979146 0.575535 ] [ 0.613089 0.370947 0.978599 ] [ 0.592874 0.66275 0.821481 ] [ 0.518825 0.568487 0.297392 ] [ 0.570143 0.432168 0.575441 ] [ 0.55534 0.030877 0.299678 ] [ 0.582716 0.164922 0.479748 ] [ 0.526821 0.020854 0.075535 ] [ 0.630297 0.160269 0.638832 ] [ 0.631524 0.661375 0.636948 ] [ 0.658522 0.218068 0.828389 ] [ 0.613089 0.629053 0.478599 ] [ 0.592874 0.33725 0.321481 ] [ 0.570143 0.567832 0.075441 ] [ 0.669153 0.959281 0.544751 ] [ 0.717024 0.876465 0.887778 ] [ 0.702682 0.404443 0.729794 ] [ 0.70646 0.898445 0.727219 ] [ 0.630297 0.839731 0.138832 ] [ 0.631524 0.338625 0.136948 ] [ 0.658522 0.781932 0.328389 ] [ 0.254422 0.914526 0.888716 ] [ 0.26885 0.179522 0.798961 ] [ 0.735066 0.39753 0.550205 ] [ 0.669153 0.040719 0.044751 ] [ 0.717024 0.123535 0.387778 ] [ 0.702682 0.595557 0.229794 ] [ 0.70646 0.101555 0.227219 ] [ 0.30339 0.72026 0.797852 ] [ 0.332446 0.58732 0.978126 ] [ 0.254422 0.085474 0.388716 ] [ 0.278086 0.230928 0.576498 ] [ 0.362645 0.117869 0.979999 ] [ 0.345429 0.410542 0.822729 ] [ 0.26885 0.820478 0.298961 ] [ 0.735066 0.60247 0.050205 ] [ 0.321269 0.680801 0.574411 ] [ 0.30339 0.27974 0.297852 ] [ 0.332446 0.41268 0.478126 ] [ 0.278086 0.769072 0.076498 ] [ 0.37784 0.910962 0.638737 ] [ 0.384107 0.411951 0.636382 ] [ 0.362645 0.882131 0.479999 ] [ 0.409674 0.969967 0.828207 ] [ 0.345429 0.589458 0.322729 ] [ 0.321269 0.319199 0.074411 ] [ 0.419535 0.20725 0.544517 ] [ 0.466862 0.623706 0.889871 ] [ 0.449755 0.652569 0.731298 ] [ 0.459018 0.148679 0.726192 ] [ 0.37784 0.089038 0.138737 ] [ 0.384107 0.588049 0.136382 ] [ 0.409674 0.030033 0.328207 ] [ 0.419535 0.79275 0.044517 ] [ 0.48742 0.652118 0.550998 ] [ 0.466862 0.376294 0.389871 ] [ 0.449755 0.347431 0.231298 ] [ 0.459018 0.851321 0.226192 ] [ 0.48742 0.347882 0.050998 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" "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" "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" 17.88093993 "source-unit" "angstrom" } "b" { "source-value" 10.06500637 "source-unit" "angstrom" } "c" { "source-value" 16.50960147 "source-unit" "angstrom" } "beta" { "source-value" 99.01743352 "source-unit" "degree" } }