{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.495767 0.245558 0.245778 ] [ 0.5 0 0 ] [ 0.006952 0.129462 0.647368 ] [ 0.504233 0.754442 0.754222 ] [ 0.5 0.5 0.5 ] [ 0.993048 0.870538 0.352632 ] [ 0.614135 0.645081 0.210493 ] [ 0.262646 0.24548 0.008359 ] [ 0.932147 0.236687 0.117131 ] [ 0.067853 0.763313 0.882869 ] [ 0.385865 0.354919 0.789507 ] [ 0.737354 0.75452 0.991641 ] [ 0.273719 0.739592 0.509817 ] [ 0.624222 0.148259 0.713709 ] [ 0.936661 0.736579 0.621419 ] [ 0.063339 0.263421 0.378581 ] [ 0.726281 0.260408 0.490183 ] [ 0.375778 0.851741 0.286291 ] [ 0.126767 0.991037 0.143289 ] [ 0.349049 0.63303 0.999256 ] [ 0.708889 0.020501 0.229374 ] [ 0.650951 0.36697 0.000744 ] [ 0.129546 0.484283 0.641531 ] [ 0.291111 0.979499 0.770626 ] [ 0.71027 0.521114 0.729481 ] [ 0.873233 0.008963 0.856711 ] [ 0.340533 0.126607 0.500797 ] [ 0.28973 0.478886 0.270519 ] [ 0.659467 0.873393 0.499203 ] [ 0.870454 0.515717 0.358469 ] [ 0.037806 0.113648 0.199519 ] [ 0.408072 0.677707 0.133869 ] [ 0.170486 0.383239 0.15158 ] [ 0.168926 0.909831 0.232127 ] [ 0.180642 0.659527 0.971213 ] [ 0.53667 0.021454 0.245507 ] [ 0.278693 0.084162 0.113191 ] [ 0.47896 0.739522 0.958446 ] [ 0.000791 0.134092 0.964456 ] [ 0.670547 0.547736 0.051566 ] [ 0.329453 0.452264 0.948434 ] [ 0.52104 0.260478 0.041554 ] [ 0.725166 0.099978 0.134011 ] [ 0.046976 0.604477 0.705773 ] [ 0.736938 0.853617 0.18529 ] [ 0.819358 0.340473 0.028787 ] [ 0.177823 0.379749 0.714498 ] [ 0.263062 0.146383 0.81471 ] [ 0.829514 0.616761 0.84842 ] [ 0.591928 0.322293 0.866131 ] [ 0.274834 0.900022 0.865989 ] [ 0.534103 0.520266 0.744896 ] [ 0.279778 0.580128 0.61131 ] [ 0.004437 0.638243 0.464583 ] [ 0.999209 0.865908 0.035544 ] [ 0.721307 0.915838 0.886809 ] [ 0.46333 0.978546 0.754493 ] [ 0.725846 0.602095 0.634288 ] [ 0.397305 0.1771 0.63266 ] [ 0.167939 0.885019 0.651487 ] [ 0.731557 0.355274 0.6807 ] [ 0.831074 0.090169 0.767873 ] [ 0.161065 0.13601 0.465277 ] [ 0.268443 0.644726 0.3193 ] [ 0.962194 0.886352 0.800481 ] [ 0.274154 0.397905 0.365712 ] [ 0.463897 0.234178 0.456227 ] [ 0.675562 0.054394 0.548539 ] [ 0.324438 0.945606 0.451461 ] [ 0.995563 0.361757 0.535417 ] [ 0.536103 0.765822 0.543773 ] [ 0.720222 0.419872 0.38869 ] [ 0.465897 0.479734 0.255104 ] [ 0.838935 0.86399 0.534723 ] [ 0.822177 0.620251 0.285502 ] [ 0.832061 0.114981 0.348513 ] [ 0.602695 0.8229 0.36734 ] [ 0.953024 0.395523 0.294227 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" 8.67033237 "source-unit" "angstrom" } "b" { "source-value" 9.09124652 "source-unit" "angstrom" } "c" { "source-value" 12.55738054 "source-unit" "angstrom" } "alpha" { "source-value" 105.3806566 "source-unit" "degree" } "beta" { "source-value" 99.58650789 "source-unit" "degree" } "gamma" { "source-value" 104.40854493 "source-unit" "degree" } }