{ "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" [ [ 0.984256 0.301717 0.874761 ] [ 0.985074 0.301788 0.125719 ] [ 0.984684 0.300905 0.375165 ] [ 0.984461 0.300556 0.624419 ] [ 0.301506 0.714511 0.874391 ] [ 0.301975 0.713934 0.624487 ] [ 0.301056 0.713459 0.375057 ] [ 0.300988 0.714103 0.125311 ] [ 0.713184 0.986086 0.624193 ] [ 0.713851 0.984885 0.374887 ] [ 0.712632 0.985219 0.875956 ] [ 0.714199 0.984737 0.12527 ] [ 0.361069 0.012171 0.750245 ] [ 0.012296 0.626597 0.999649 ] [ 0.359016 0.007301 0.001879 ] [ 0.361367 0.007438 0.499406 ] [ 0.359701 0.006941 0.250907 ] [ 0.007558 0.631876 0.499181 ] [ 0.006483 0.634061 0.747926 ] [ 0.007603 0.630656 0.250841 ] [ 0.632729 0.360046 0.499443 ] [ 0.633873 0.359315 0.999915 ] [ 0.633712 0.358946 0.74987 ] [ 0.632956 0.35989 0.24968 ] [ 0.99836 0.002131 0.000238 ] [ 0.999663 0.998115 0.749763 ] [ 0.000214 0.999839 0.499749 ] [ 0.999909 0.999905 0.250246 ] [ 0.666019 0.666727 0.126926 ] [ 0.666575 0.665704 0.875035 ] [ 0.668081 0.665442 0.623179 ] [ 0.666747 0.665986 0.375139 ] [ 0.333626 0.33429 0.874967 ] [ 0.332908 0.335246 0.623564 ] [ 0.333109 0.333335 0.375038 ] [ 0.334765 0.332597 0.126515 ] [ 0.916337 0.192945 0.750325 ] [ 0.916464 0.196782 0.000797 ] [ 0.914636 0.194446 0.500258 ] [ 0.915311 0.194298 0.250546 ] [ 0.579483 0.558974 0.125054 ] [ 0.580018 0.557747 0.874894 ] [ 0.580639 0.558368 0.624923 ] [ 0.579379 0.558847 0.37482 ] [ 0.192895 0.891267 0.000185 ] [ 0.194258 0.891252 0.498611 ] [ 0.194335 0.890425 0.249418 ] [ 0.192897 0.886933 0.749442 ] [ 0.860343 0.579709 0.128733 ] [ 0.860906 0.578783 0.376723 ] [ 0.860229 0.579631 0.872425 ] [ 0.861894 0.57879 0.624304 ] [ 0.55866 0.860831 0.12567 ] [ 0.558786 0.859749 0.877834 ] [ 0.559529 0.860274 0.373676 ] [ 0.560594 0.859907 0.621579 ] [ 0.252833 0.220758 0.877268 ] [ 0.254278 0.217977 0.374957 ] [ 0.253384 0.220344 0.623675 ] [ 0.254741 0.218521 0.126607 ] [ 0.886866 0.920192 0.999786 ] [ 0.886823 0.916402 0.749728 ] [ 0.890774 0.914924 0.500396 ] [ 0.890744 0.915011 0.250958 ] [ 0.52754 0.254469 0.875292 ] [ 0.527149 0.255021 0.624713 ] [ 0.527148 0.254607 0.374908 ] [ 0.528575 0.25416 0.125007 ] [ 0.218139 0.528825 0.623356 ] [ 0.2195 0.528223 0.872379 ] [ 0.217741 0.527306 0.375127 ] [ 0.219965 0.52684 0.126709 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 8.24364432 "source-unit" "angstrom" } "b" { "source-value" 8.24476534 "source-unit" "angstrom" } "c" { "source-value" 12.55723063 "source-unit" "angstrom" } "alpha" { "source-value" 89.78503543 "source-unit" "degree" } "beta" { "source-value" 89.82981313 "source-unit" "degree" } "gamma" { "source-value" 60.01455609 "source-unit" "degree" } }