{ "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" [ [ 0.201868 0.360485 0.220997 ] [ 0.798132 0.639515 0.779003 ] [ 0.149487 0.604377 0.967668 ] [ 0.850513 0.395623 0.032332 ] [ 0.358836 0.637653 0.05704 ] [ 0.641164 0.362346 0.94296 ] [ 0.213413 0.72904 0.583703 ] [ 0.786587 0.27096 0.416297 ] [ 0.316242 0.841548 0.3887 ] [ 0.683758 0.158452 0.6113 ] [ 0.463512 0.708112 0.547925 ] [ 0.536488 0.291888 0.452075 ] [ 0.308332 0.597763 0.44738 ] [ 0.691668 0.402237 0.55262 ] [ 0.874362 0.780108 0.374648 ] [ 0.125638 0.219892 0.625352 ] [ 0.744778 0.878965 0.993713 ] [ 0.255222 0.121035 0.006287 ] [ 0.95743 0.990449 0.24784 ] [ 0.04257 0.009551 0.75216 ] [ 0.021892 0.77757 0.198622 ] [ 0.978108 0.22243 0.801378 ] [ 0.377367 0.144404 0.125727 ] [ 0.622633 0.855596 0.874273 ] [ 0.225627 0.575303 0.079491 ] [ 0.774373 0.424697 0.920509 ] [ 0.328063 0.721389 0.49357 ] [ 0.671937 0.278611 0.50643 ] [ 0.988791 0.846328 0.296593 ] [ 0.011209 0.153672 0.703407 ] [ 0.304584 0.366585 0.383904 ] [ 0.695416 0.633415 0.616096 ] [ 0.992359 0.303043 0.233201 ] [ 0.007641 0.696957 0.766799 ] ] } "species" { "source-value" [ "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "S" "S" "N" "N" "N" "N" "N" "N" "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" 6.92653127 "source-unit" "angstrom" } "b" { "source-value" 7.10093581 "source-unit" "angstrom" } "c" { "source-value" 7.90109105 "source-unit" "angstrom" } "alpha" { "source-value" 75.47502776 "source-unit" "degree" } "beta" { "source-value" 86.0694934 "source-unit" "degree" } "gamma" { "source-value" 87.97901309 "source-unit" "degree" } }