{ "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" [ [ 0.342556 0.662871 0.127662 ] [ 0.024953 0.975899 0.015479 ] [ 0.009742 0.97872 0.493482 ] [ 0.684838 0.336191 0.594061 ] [ 0.320949 0.680418 0.50259 ] [ 0.641599 0.331303 0.02712 ] [ 0.169827 0.833846 0.783549 ] [ 0.82736 0.663474 0.285102 ] [ 0.337012 0.173256 0.286993 ] [ 0.65917 0.830365 0.785738 ] [ 0.164381 0.339708 0.787743 ] [ 0.828538 0.173102 0.28766 ] [ 0.674697 0.862985 0.399417 ] [ 0.504547 0.538117 0.65791 ] [ 0.363028 0.694231 0.901415 ] [ 0.970925 0.980249 0.682359 ] [ 0.987182 0.01149 0.194166 ] [ 0.142058 0.327944 0.402779 ] [ 0.495153 0.962928 0.661065 ] [ 0.046168 0.532716 0.649415 ] [ 0.808315 0.133661 0.898963 ] [ 0.169584 0.837413 0.398091 ] [ 0.955321 0.458912 0.155909 ] [ 0.534815 0.041339 0.159156 ] [ 0.676763 0.328362 0.394361 ] [ 0.819355 0.677781 0.897347 ] [ 0.517603 0.477409 0.156359 ] [ 0.323859 0.155611 0.906272 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Ni" "Ni" "Ni" "Te" "Te" "Te" "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" 6.10967694 "source-unit" "angstrom" } "b" { "source-value" 6.12330045 "source-unit" "angstrom" } "c" { "source-value" 9.64499527 "source-unit" "angstrom" } "alpha" { "source-value" 89.46443174 "source-unit" "degree" } "beta" { "source-value" 91.32431446 "source-unit" "degree" } "gamma" { "source-value" 118.81210624 "source-unit" "degree" } }