{ "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" [ [ 0.392125 0.926026 0.188982 ] [ 0.607875 0.073974 0.811018 ] [ 0.882119 0.842618 0.631486 ] [ 0.117881 0.157382 0.368514 ] [ 0 0.5 0 ] [ 0.993167 0.329262 0.643192 ] [ 0.47918 0.572494 0.814788 ] [ 0.52082 0.427506 0.185212 ] [ 0.006833 0.670738 0.356808 ] [ 0.322189 0.223787 0.213066 ] [ 0.991376 0.189782 0.540318 ] [ 0.941677 0.2224 0.955578 ] [ 0.77563 0.052996 0.288363 ] [ 0.712818 0.384715 0.117989 ] [ 0.454748 0.245444 0.445049 ] [ 0.375153 0.565292 0.132981 ] [ 0.624847 0.434708 0.867019 ] [ 0.058323 0.7776 0.044422 ] [ 0.110412 0.492401 0.37289 ] [ 0.846007 0.169424 0.711861 ] [ 0.677811 0.776213 0.786934 ] [ 0.287182 0.615285 0.882011 ] [ 0.889588 0.507599 0.62711 ] [ 0.307353 0.432767 0.700481 ] [ 0.008624 0.810218 0.459682 ] [ 0.692647 0.567233 0.299519 ] [ 0.22437 0.947004 0.711637 ] [ 0.545252 0.754556 0.554951 ] [ 0.153993 0.830576 0.288139 ] ] } "species" { "source-value" [ "Li" "Li" "U" "U" "U" "P" "P" "P" "P" "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" 5.40920596863 "source-unit" "angstrom" } "b" { "source-value" 6.77823948226 "source-unit" "angstrom" } "c" { "source-value" 12.6793056841 "source-unit" "angstrom" } "alpha" { "source-value" 94.8250960463 "source-unit" "degree" } "beta" { "source-value" 99.1394445682 "source-unit" "degree" } "gamma" { "source-value" 110.451475701 "source-unit" "degree" } }