{ "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" [ [ 0.621884 0.963467 0.596623 ] [ 0.83605 0.501501 0.347705 ] [ 0.652185 0.64323 0.625235 ] [ 0.391799 0.066013 0.120635 ] [ 0.849353 0.851954 0.369198 ] [ 0.099901 0.43176 0.871594 ] [ 0.889631 0.571192 0.122639 ] [ 0.141526 0.152965 0.620295 ] [ 0.352354 0.343873 0.376198 ] [ 0.606256 0.93076 0.868674 ] [ 0.644051 0.302947 0.619359 ] [ 0.383692 0.397225 0.128536 ] [ 0.846751 0.192295 0.37391 ] [ 0.110506 0.104351 0.867634 ] [ 0.1475 0.8197 0.623395 ] [ 0.892477 0.894391 0.119037 ] [ 0.353126 0.678496 0.374153 ] [ 0.599743 0.606413 0.875222 ] [ 0.152185 0.920223 0.126474 ] [ 0.293309 0.28617 0.170342 ] [ 0.196106 0.468437 0.067281 ] [ 0.497534 0.813772 0.398028 ] [ 0.478484 0.559285 0.407138 ] [ 0.571566 0.166689 0.322691 ] [ 0.918876 0.330458 0.671567 ] [ 0.647097 0.438643 0.151383 ] [ 0.802035 0.78606 0.16279 ] [ 0.020961 0.936062 0.585237 ] [ 0.006884 0.68972 0.609998 ] [ 0.708299 0.978513 0.06919 ] [ 0.298941 0.029863 0.925522 ] [ 0.986412 0.316375 0.368602 ] [ 0.966707 0.093181 0.428292 ] [ 0.204219 0.213372 0.82386 ] [ 0.340581 0.578127 0.86774 ] [ 0.076873 0.651614 0.322482 ] [ 0.425874 0.846488 0.669249 ] [ 0.522432 0.404007 0.566841 ] [ 0.505015 0.176074 0.620287 ] [ 0.784979 0.521898 0.925474 ] [ 0.690659 0.71485 0.832591 ] [ 0.849991 0.071291 0.852969 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.22220296 "source-unit" "angstrom" } "b" { "source-value" 9.22219999 "source-unit" "angstrom" } "c" { "source-value" 11.3309127 "source-unit" "angstrom" } "alpha" { "source-value" 112.87548434 "source-unit" "degree" } "beta" { "source-value" 102.75155268 "source-unit" "degree" } "gamma" { "source-value" 90.94778746 "source-unit" "degree" } }