{ "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" [ [ 0.026178 0.511154 0.004025 ] [ 0.437082 0.200343 0.820143 ] [ 0.443701 0.409374 0.476412 ] [ 0.556299 0.909374 0.523588 ] [ 0.562918 0.700343 0.179857 ] [ 0.973822 0.011154 0.995975 ] [ 0.040628 0.738567 0.720689 ] [ 0.959372 0.238567 0.279311 ] [ 0.959999 0.246246 0.664312 ] [ 0.040001 0.746246 0.335688 ] [ 0.521229 0.743718 0.8656 ] [ 0.478771 0.243718 0.1344 ] [ 0.352268 0.717292 0.975654 ] [ 0.76979 0.764153 0.904272 ] [ 0.085959 0.065455 0.76276 ] [ 0.024255 0.437885 0.769153 ] [ 0.443791 0.753495 0.716647 ] [ 0.660485 0.213574 0.634035 ] [ 0.099792 0.273344 0.503579 ] [ 0.900208 0.773344 0.496421 ] [ 0.339515 0.713574 0.365965 ] [ 0.556209 0.253495 0.283353 ] [ 0.975745 0.937885 0.230847 ] [ 0.914041 0.565455 0.23724 ] [ 0.23021 0.264153 0.095728 ] [ 0.647732 0.217292 0.024346 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "P" "P" "C" "C" "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" 5.08395387 "source-unit" "angstrom" } "b" { "source-value" 6.518598 "source-unit" "angstrom" } "c" { "source-value" 8.37991848 "source-unit" "angstrom" } "beta" { "source-value" 91.91788044 "source-unit" "degree" } }