{ "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" [ [ 0.594644 0.324968 0.965907 ] [ 0.0982 0.331022 0.467345 ] [ 0.9018 0.668978 0.532655 ] [ 0.405356 0.675032 0.034093 ] [ 0.042389 0.230006 0.791348 ] [ 0.957611 0.769994 0.208652 ] [ 0.550431 0.236222 0.291265 ] [ 0.449569 0.763778 0.708735 ] [ 0.55515 0.259606 0.631272 ] [ 0.939804 0.738063 0.865345 ] [ 0.060196 0.261937 0.134655 ] [ 0.44485 0.740394 0.368728 ] [ 0.620038 0.171942 0.752976 ] [ 0.723005 0.292521 0.513951 ] [ 0.825542 0.314838 0.137351 ] [ 0.329564 0.324241 0.634753 ] [ 0.132297 0.178698 0.256277 ] [ 0.774612 0.701043 0.983608 ] [ 0.225388 0.298957 0.016392 ] [ 0.867703 0.821302 0.743723 ] [ 0.670436 0.675759 0.365247 ] [ 0.174458 0.685162 0.862649 ] [ 0.276995 0.707479 0.486049 ] [ 0.379962 0.828058 0.247024 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Fe" "Fe" "B" "B" "B" "B" "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" 5.2639472 "source-unit" "angstrom" } "b" { "source-value" 6.04555019 "source-unit" "angstrom" } "c" { "source-value" 8.97667311 "source-unit" "angstrom" } "alpha" { "source-value" 102.4648836 "source-unit" "degree" } "beta" { "source-value" 90.9342942 "source-unit" "degree" } "gamma" { "source-value" 113.81802099 "source-unit" "degree" } }