{ "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" [ [ 0.778209 0.663033 0.661147 ] [ 0.712668 0.378191 0.16696 ] [ 0.680853 0.614661 0.320373 ] [ 0.828244 0.379664 0.846504 ] [ 0.488722 0.995562 0.159133 ] [ 0.511278 0.004438 0.840867 ] [ 0.171756 0.620336 0.153496 ] [ 0.319147 0.385339 0.679627 ] [ 0.287332 0.621809 0.83304 ] [ 0.221791 0.336967 0.338853 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.962399 0.047284 0.688531 ] [ 0.777618 0.702311 0.984697 ] [ 0.730111 0.327636 0.521704 ] [ 0.269889 0.672364 0.478296 ] [ 0.222382 0.297689 0.015303 ] [ 0.037601 0.952716 0.311469 ] [ 0.048416 0.74157 0.940354 ] [ 0.947549 0.184539 0.55981 ] [ 0.87197 0.130666 0.817794 ] [ 0.792633 0.600284 0.127772 ] [ 0.819931 0.399736 0.381035 ] [ 0.762191 0.016052 0.307559 ] [ 0.772031 0.931337 0.662299 ] [ 0.713663 0.432227 0.642526 ] [ 0.65968 0.616852 0.870955 ] [ 0.630295 0.864891 0.00523 ] [ 0.521111 0.746208 0.483656 ] [ 0.478889 0.253792 0.516344 ] [ 0.369705 0.135109 0.99477 ] [ 0.34032 0.383148 0.129045 ] [ 0.286337 0.567773 0.357474 ] [ 0.227969 0.068663 0.337701 ] [ 0.237809 0.983948 0.692441 ] [ 0.180069 0.600264 0.618965 ] [ 0.207367 0.399716 0.872228 ] [ 0.12803 0.869334 0.182206 ] [ 0.052451 0.815461 0.44019 ] [ 0.951584 0.25843 0.059646 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.37798479 "source-unit" "angstrom" } "b" { "source-value" 8.5745246 "source-unit" "angstrom" } "c" { "source-value" 9.63373609 "source-unit" "angstrom" } "alpha" { "source-value" 84.51305081 "source-unit" "degree" } "beta" { "source-value" 88.68880343 "source-unit" "degree" } "gamma" { "source-value" 84.3468381 "source-unit" "degree" } }