{ "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" [ [ 0.970812 0.968226 0.672054 ] [ 0.696516 0.031657 0.661291 ] [ 0.6373 0.46565 0.503368 ] [ 0.710688 0.532346 0.165996 ] [ 0.63743 0.966415 0.005367 ] [ 0.303853 0.464357 0.837247 ] [ 0.362345 0.035153 0.996347 ] [ 0.362454 0.533447 0.494797 ] [ 0.303001 0.965969 0.338539 ] [ 0.030475 0.032436 0.329786 ] [ 0.030034 0.533707 0.828765 ] [ 0.878249 0.206286 0.565039 ] [ 0.795718 0.298598 0.266509 ] [ 0.787316 0.795688 0.771809 ] [ 0.883862 0.69469 0.065147 ] [ 0.545804 0.205278 0.89818 ] [ 0.45551 0.294359 0.601482 ] [ 0.547345 0.704137 0.398521 ] [ 0.458361 0.794035 0.1022 ] [ 0.115324 0.301072 0.942083 ] [ 0.209305 0.207404 0.231636 ] [ 0.211242 0.70522 0.731976 ] [ 0.116459 0.786208 0.431228 ] [ 0.889214 0.129072 0.979674 ] [ 0.774283 0.367493 0.848739 ] [ 0.887859 0.63498 0.486471 ] [ 0.778113 0.866275 0.350941 ] [ 0.556481 0.13374 0.31407 ] [ 0.557527 0.63137 0.816335 ] [ 0.445771 0.367095 0.185112 ] [ 0.442073 0.867026 0.683925 ] [ 0.221544 0.132292 0.649568 ] [ 0.111379 0.367111 0.518985 ] [ 0.222539 0.638083 0.144785 ] [ 0.111174 0.867526 0.020014 ] [ 0.878804 0.013565 0.831064 ] [ 0.990549 0.246708 0.428446 ] [ 0.989587 0.74741 0.9308 ] [ 0.895699 0.36451 0.798162 ] [ 0.764965 0.487864 0.982917 ] [ 0.882843 0.520712 0.344679 ] [ 0.656811 0.243225 0.759371 ] [ 0.895033 0.862121 0.294217 ] [ 0.770183 0.134394 0.035315 ] [ 0.770079 0.640605 0.543783 ] [ 0.677901 0.253173 0.402032 ] [ 0.68103 0.750834 0.909498 ] [ 0.78289 0.982652 0.495773 ] [ 0.550224 0.016791 0.168885 ] [ 0.55099 0.518275 0.669559 ] [ 0.65793 0.74555 0.26209 ] [ 0.563369 0.363668 0.129152 ] [ 0.559262 0.863913 0.627921 ] [ 0.43892 0.136916 0.370537 ] [ 0.438115 0.636243 0.869956 ] [ 0.344403 0.251331 0.736893 ] [ 0.451063 0.482669 0.330865 ] [ 0.448566 0.981805 0.830238 ] [ 0.214844 0.014469 0.504668 ] [ 0.323483 0.248449 0.095878 ] [ 0.320943 0.746557 0.594267 ] [ 0.230532 0.36358 0.465088 ] [ 0.227983 0.863481 0.96276 ] [ 0.105097 0.1402 0.708196 ] [ 0.348276 0.753276 0.238047 ] [ 0.11557 0.482328 0.663952 ] [ 0.217599 0.519506 0.002784 ] [ 0.100826 0.653797 0.197597 ] [ 0.013801 0.240734 0.06872 ] [ 0.009782 0.755967 0.57589 ] [ 0.117254 0.982696 0.165297 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "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" 9.424351 "source-unit" "angstrom" } "b" { "source-value" 9.74213535 "source-unit" "angstrom" } "c" { "source-value" 9.9026256 "source-unit" "angstrom" } "alpha" { "source-value" 115.31641833 "source-unit" "degree" } "beta" { "source-value" 110.39067378 "source-unit" "degree" } "gamma" { "source-value" 87.70075395 "source-unit" "degree" } }