{ "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" [ [ 0.49972 0.063671 0.209055 ] [ 0.997391 0.578066 0.220743 ] [ 0.498325 0.056446 0.719212 ] [ 0.006689 0.008156 0.013299 ] [ 0.491753 0.480569 0.490071 ] [ 0.986928 0.01229 0.491887 ] [ 0.520217 0.492643 0.009836 ] [ 0.00061 0.609575 0.70055 ] [ 0.29149 0.768769 0.591172 ] [ 0.121824 0.960219 0.263307 ] [ 0.32113 0.152396 0.955862 ] [ 0.174275 0.304823 0.595454 ] [ 0.808373 0.281743 0.080551 ] [ 0.375461 0.468914 0.260355 ] [ 0.667495 0.467515 0.764024 ] [ 0.177905 0.639339 0.929171 ] [ 0.824628 0.651877 0.471284 ] [ 0.694655 0.774812 0.082047 ] [ 0.877729 0.936694 0.762898 ] [ 0.663402 0.150683 0.459619 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Mn" "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" 5.03317067 "source-unit" "angstrom" } "b" { "source-value" 5.45675238 "source-unit" "angstrom" } "c" { "source-value" 7.45382723 "source-unit" "angstrom" } "alpha" { "source-value" 95.95612167 "source-unit" "degree" } "beta" { "source-value" 90.05357946 "source-unit" "degree" } "gamma" { "source-value" 90.12750706 "source-unit" "degree" } }