{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.30113 0.195173 0.168474 ] [ 0.252184 0.8861 0.90101 ] [ 0.747816 0.3861 0.09899 ] [ 0.69887 0.695173 0.831526 ] [ 0.753436 0.613865 0.402413 ] [ 0.246564 0.113865 0.597587 ] [ 0.290268 0.385462 0.799167 ] [ 0.709732 0.885462 0.200833 ] [ 0.787836 0.11617 0.300413 ] [ 0.212164 0.61617 0.699587 ] [ 0.493801 0.606044 0.025983 ] [ 0.506199 0.106044 0.974017 ] [ 0.517343 0.490266 0.605919 ] [ 0.482657 0.990266 0.394081 ] [ 0.020923 0.004499 0.112088 ] [ 0.979077 0.504499 0.887912 ] [ 0.992262 0.892422 0.520625 ] [ 0.007738 0.392422 0.479375 ] [ 0.37842 0.15426 0.838857 ] [ 0.465596 0.471155 0.005118 ] [ 0.399034 0.694119 0.902892 ] [ 0.600966 0.194119 0.097108 ] [ 0.534404 0.971155 0.994882 ] [ 0.62158 0.65426 0.161143 ] [ 0.369607 0.982333 0.482789 ] [ 0.440387 0.61571 0.62475 ] [ 0.481403 0.380918 0.684988 ] [ 0.518597 0.880918 0.315012 ] [ 0.559613 0.11571 0.37525 ] [ 0.84474 0.517641 0.959499 ] [ 0.630393 0.482333 0.517211 ] [ 0.914902 0.889558 0.098303 ] [ 0.998029 0.113391 0.201517 ] [ 0.001971 0.613391 0.798483 ] [ 0.085098 0.389558 0.901697 ] [ 0.15526 0.017641 0.040501 ] [ 0.881724 0.344928 0.341032 ] [ 0.962377 0.028423 0.503665 ] [ 0.895302 0.806369 0.399874 ] [ 0.104698 0.306369 0.600126 ] [ 0.037623 0.528423 0.496335 ] [ 0.118276 0.844928 0.658968 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "C" "C" "C" "C" "C" "C" "C" "C" "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" 6.88485478 "source-unit" "angstrom" } "b" { "source-value" 9.47496392 "source-unit" "angstrom" } "c" { "source-value" 8.37218844 "source-unit" "angstrom" } "beta" { "source-value" 109.93501666 "source-unit" "degree" } }