{ "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" [ [ 0.973157 0.866672 0.296227 ] [ 0.971567 0.369288 0.29331 ] [ 0.382405 0.840349 0.807309 ] [ 0.604341 0.597436 0.185439 ] [ 0.600239 0.092373 0.176244 ] [ 0.017479 0.358568 0.894982 ] [ 0.044446 0.636069 0.726603 ] [ 0.060187 0.122686 0.721279 ] [ 0.315328 0.628047 0.954661 ] [ 0.320842 0.129254 0.950786 ] [ 0.1752 0.856404 0.540782 ] [ 0.175338 0.35581 0.537964 ] [ 0.218277 0.873519 0.17079 ] [ 0.215318 0.374004 0.167384 ] [ 0.381398 0.594378 0.375468 ] [ 0.37256 0.096638 0.370825 ] [ 0.583919 0.850628 0.615665 ] [ 0.579339 0.351673 0.614481 ] [ 0.80343 0.110496 0.83879 ] [ 0.78655 0.619643 0.841521 ] [ 0.807426 0.594291 0.465506 ] [ 0.806439 0.095992 0.466352 ] [ 0.680962 0.37538 0.039251 ] [ 0.695007 0.872222 0.034942 ] [ 0.014588 0.531735 0.845237 ] [ 0.026875 0.032183 0.844855 ] [ 0.015105 0.748701 0.435937 ] [ 0.011836 0.249338 0.43291 ] [ 0.208638 0.76307 0.872122 ] [ 0.207725 0.265194 0.875519 ] [ 0.14799 0.246771 0.642013 ] [ 0.155834 0.749006 0.649328 ] [ 0.217035 0.970853 0.438163 ] [ 0.21304 0.471827 0.433391 ] [ 0.129675 0.506768 0.243792 ] [ 0.136729 0.006317 0.251355 ] [ 0.150151 0.9679 0.055293 ] [ 0.146538 0.463816 0.045224 ] [ 0.346704 0.535969 0.837276 ] [ 0.347472 0.032467 0.829786 ] [ 0.357504 0.949274 0.632824 ] [ 0.360133 0.448393 0.627819 ] [ 0.286761 0.269494 0.286694 ] [ 0.294216 0.768761 0.291459 ] [ 0.303016 0.734261 0.090206 ] [ 0.301379 0.234515 0.086302 ] [ 0.408966 0.731761 0.513515 ] [ 0.399919 0.231201 0.506277 ] [ 0.542185 0.245235 0.949571 ] [ 0.530743 0.757278 0.941013 ] [ 0.543935 0.756873 0.728715 ] [ 0.559717 0.245064 0.7202 ] [ 0.417049 0.480793 0.227654 ] [ 0.420318 0.981096 0.226039 ] [ 0.467195 0.009656 0.034089 ] [ 0.470885 0.513425 0.040464 ] [ 0.603292 0.959322 0.501454 ] [ 0.59438 0.465533 0.499376 ] [ 0.708779 0.979955 0.914183 ] [ 0.720941 0.47455 0.92016 ] [ 0.713395 0.996122 0.708927 ] [ 0.70461 0.501789 0.712886 ] [ 0.625228 0.664374 0.364175 ] [ 0.620202 0.160891 0.366387 ] [ 0.658765 0.277458 0.155214 ] [ 0.663852 0.777674 0.14982 ] [ 0.848058 0.734267 0.965146 ] [ 0.869177 0.234282 0.958027 ] [ 0.885612 0.245569 0.766928 ] [ 0.867574 0.747282 0.766688 ] [ 0.765673 0.724178 0.566981 ] [ 0.760073 0.228517 0.565827 ] [ 0.837968 0.979119 0.357205 ] [ 0.835113 0.477836 0.35545 ] [ 0.790521 0.510821 0.135072 ] [ 0.794735 0.011891 0.130055 ] [ 0.975155 0.007549 0.566525 ] [ 0.975083 0.507628 0.564763 ] [ 0.014853 0.285515 0.154219 ] [ 0.018524 0.785059 0.160248 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.22962577 "source-unit" "angstrom" } "b" { "source-value" 9.71642095 "source-unit" "angstrom" } "c" { "source-value" 13.00137407 "source-unit" "angstrom" } "alpha" { "source-value" 93.13744417 "source-unit" "degree" } "beta" { "source-value" 103.00132726 "source-unit" "degree" } "gamma" { "source-value" 91.03832823 "source-unit" "degree" } }