{ "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" [ [ 0.59419 0.107998 0.196814 ] [ 0.695836 0.747217 0.65871 ] [ 0.304773 0.252545 0.658605 ] [ 0.089204 0.550401 0.144467 ] [ 0.578897 0.577869 0.999598 ] [ 0.420359 0.921369 0.499896 ] [ 0.962348 0.241574 0.403985 ] [ 0.838522 0.303353 0.659261 ] [ 0.971559 0.750308 0.902814 ] [ 0.648129 0.402737 0.438023 ] [ 0.845841 0.811056 0.159509 ] [ 0.354061 0.10016 0.938972 ] [ 0.651098 0.908622 0.938202 ] [ 0.158868 0.195479 0.158802 ] [ 0.347691 0.590684 0.436885 ] [ 0.035906 0.257382 0.902504 ] [ 0.153535 0.687341 0.659369 ] [ 0.030714 0.752358 0.403329 ] [ 0.72365 0.387716 0.88803 ] [ 0.500102 0.00023 0.723781 ] [ 0.724053 0.888321 0.387866 ] [ 0.500242 0.499663 0.223933 ] [ 0.276259 0.112286 0.388328 ] [ 0.276571 0.611444 0.887599 ] [ 0.975603 0.264872 0.762894 ] [ 0.935894 0.242384 0.553384 ] [ 0.847015 0.077401 0.923795 ] [ 0.762291 0.044704 0.402091 ] [ 0.868611 0.355274 0.935596 ] [ 0.792956 0.308761 0.375381 ] [ 0.972436 0.761212 0.262983 ] [ 0.640388 0.106521 0.657779 ] [ 0.928822 0.736929 0.053583 ] [ 0.846653 0.576145 0.423487 ] [ 0.710563 0.358108 0.775166 ] [ 0.685471 0.363295 0.570147 ] [ 0.500363 0.001385 0.973482 ] [ 0.754329 0.542 0.908057 ] [ 0.865345 0.852555 0.436765 ] [ 0.551663 0.296926 0.938065 ] [ 0.790292 0.806414 0.877354 ] [ 0.416086 0.07793 0.787437 ] [ 0.582948 0.421644 0.288285 ] [ 0.447719 0.202047 0.43975 ] [ 0.634243 0.602183 0.152342 ] [ 0.708729 0.857116 0.27533 ] [ 0.686645 0.861799 0.068716 ] [ 0.501158 0.500327 0.474272 ] [ 0.314605 0.136146 0.071158 ] [ 0.291519 0.140879 0.275378 ] [ 0.35746 0.395005 0.158068 ] [ 0.551354 0.806284 0.441664 ] [ 0.418559 0.579255 0.288747 ] [ 0.580803 0.919405 0.787742 ] [ 0.206504 0.19001 0.875578 ] [ 0.450418 0.694054 0.939856 ] [ 0.132523 0.145592 0.436067 ] [ 0.23588 0.455561 0.90391 ] [ 0.317365 0.641149 0.568514 ] [ 0.999947 0.000579 0.153441 ] [ 0.291773 0.644745 0.77527 ] [ 0.152938 0.422624 0.423465 ] [ 0.066193 0.260917 0.054068 ] [ 0.367131 0.897636 0.651294 ] [ 0.026554 0.236854 0.263309 ] [ 0.207236 0.691645 0.378207 ] [ 0.134061 0.646463 0.936857 ] [ 0.245657 0.957756 0.407964 ] [ 0.999323 0.49951 0.65292 ] [ 0.153598 0.924144 0.923266 ] [ 0.070063 0.76014 0.552967 ] [ 0.023845 0.735389 0.762817 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Li" "Li" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.53040034 "source-unit" "angstrom" } "b" { "source-value" 10.49637229 "source-unit" "angstrom" } "c" { "source-value" 13.45962208 "source-unit" "angstrom" } "alpha" { "source-value" 90.04285927 "source-unit" "degree" } "beta" { "source-value" 90.01751296 "source-unit" "degree" } "gamma" { "source-value" 113.37710688 "source-unit" "degree" } }