{ "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" [ [ 0.930195 0.286436 0.21512 ] [ 0.856597 0.071474 0.428365 ] [ 0.642014 0.428963 0.072947 ] [ 0.785313 0.856661 0.642815 ] [ 0.571389 0.214773 0.285874 ] [ 0.286289 0.357362 0.143283 ] [ 0.5 0 0.5 ] [ 0.713711 0.642638 0.856717 ] [ 0.214687 0.143339 0.357185 ] [ 0.428611 0.785227 0.714126 ] [ 0 0.5 0 ] [ 0.357986 0.571037 0.927053 ] [ 0.143403 0.928526 0.571635 ] [ 0.069805 0.713564 0.78488 ] [ 0.5 0.5 0.5 ] [ 0.928319 0.785754 0.214205 ] [ 0.642798 0.928323 0.070925 ] [ 0.857032 0.571386 0.428506 ] [ 0.785274 0.357167 0.642895 ] [ 0.571514 0.714417 0.285792 ] [ 0.714136 0.142563 0.857018 ] [ 0.285864 0.857437 0.142982 ] [ 0.214726 0.642833 0.357105 ] [ 0 0 0 ] [ 0.428486 0.285583 0.714208 ] [ 0.142968 0.428614 0.571494 ] [ 0.357202 0.071677 0.929075 ] [ 0.071681 0.214246 0.785795 ] [ 0.938906 0.554812 0.230553 ] [ 0.918374 0.01755 0.197953 ] [ 0.866214 0.3393 0.445178 ] [ 0.633564 0.160448 0.05501 ] [ 0.653202 0.69726 0.087814 ] [ 0.847839 0.804073 0.412559 ] [ 0.790979 0.594624 0.633704 ] [ 0.989997 0.232057 0.983178 ] [ 0.58541 0.480896 0.291135 ] [ 0.796902 0.125548 0.659978 ] [ 0.562012 0.94635 0.268076 ] [ 0.275895 0.089588 0.127242 ] [ 0.704519 0.374919 0.841468 ] [ 0.490121 0.745122 0.483188 ] [ 0.509879 0.254878 0.516812 ] [ 0.724105 0.910412 0.872758 ] [ 0.295481 0.625081 0.158532 ] [ 0.437988 0.05365 0.731924 ] [ 0.41459 0.519104 0.708865 ] [ 0.010003 0.767943 0.016822 ] [ 0.209021 0.405376 0.366296 ] [ 0.203098 0.874452 0.340022 ] [ 0.346798 0.30274 0.912186 ] [ 0.366436 0.839552 0.94499 ] [ 0.152161 0.195927 0.587441 ] [ 0.133786 0.6607 0.554822 ] [ 0.061094 0.445188 0.769447 ] [ 0.081626 0.98245 0.802047 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mg" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "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" 7.53255769 "source-unit" "angstrom" } "b" { "source-value" 8.07944515 "source-unit" "angstrom" } "c" { "source-value" 8.56664706 "source-unit" "angstrom" } "alpha" { "source-value" 103.15831124 "source-unit" "degree" } "beta" { "source-value" 104.55279721 "source-unit" "degree" } "gamma" { "source-value" 105.44522326 "source-unit" "degree" } }