{ "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" [ [ 0.457009 0.755011 0.754827 ] [ 0.542991 0.244989 0.245173 ] [ 0.760627 0.433454 0.807758 ] [ 0.239373 0.566546 0.192242 ] [ 0.693049 0.072062 0.688372 ] [ 0.306951 0.927938 0.311628 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.536109 0.636527 0.931075 ] [ 0.463891 0.363473 0.068925 ] [ 0.416175 0.523163 0.898062 ] [ 0.583825 0.476837 0.101938 ] [ 0.070507 0.599902 0.815665 ] [ 0.929493 0.400098 0.184335 ] [ 0.915758 0.709553 0.852828 ] [ 0.084242 0.290447 0.147172 ] [ 0.568541 0.650069 0.272867 ] [ 0.431459 0.349931 0.727133 ] [ 0.556844 0.736208 0.18896 ] [ 0.443156 0.263792 0.81104 ] [ 0.983988 0.762609 0.312556 ] [ 0.016012 0.237391 0.687444 ] [ 0.985633 0.842118 0.22516 ] [ 0.014367 0.157882 0.77484 ] [ 0.514177 0.864143 0.57713 ] [ 0.485823 0.135857 0.42287 ] [ 0.373925 0.985142 0.614193 ] [ 0.626075 0.014858 0.385807 ] [ 0.906353 0.793905 0.649489 ] [ 0.093647 0.206095 0.350511 ] [ 0.035917 0.896386 0.6882 ] [ 0.964083 0.103614 0.3118 ] [ 0.246284 0.012214 0.987174 ] [ 0.753716 0.987786 0.012826 ] [ 0.2479 0.487071 0.51685 ] [ 0.7521 0.512929 0.48315 ] [ 0.272934 0.220693 0.952795 ] [ 0.727066 0.779307 0.047205 ] [ 0.218608 0.805581 0.024623 ] [ 0.781392 0.194419 0.975377 ] [ 0.198443 0.963831 0.865899 ] [ 0.801557 0.036169 0.134101 ] [ 0.296495 0.058873 0.107963 ] [ 0.703505 0.941127 0.892037 ] [ 0.235761 0.542545 0.640413 ] [ 0.764239 0.457455 0.359587 ] [ 0.267304 0.431884 0.393513 ] [ 0.732696 0.568116 0.606487 ] [ 0.230633 0.277958 0.551846 ] [ 0.769367 0.722042 0.448154 ] [ 0.260812 0.695758 0.480369 ] [ 0.739188 0.304242 0.519631 ] [ 0.288853 0.34466 0.9341 ] [ 0.711147 0.65534 0.0659 ] [ 0.200092 0.685124 0.049077 ] [ 0.799908 0.314876 0.950923 ] [ 0.171603 0.935758 0.794079 ] [ 0.828397 0.064242 0.205921 ] [ 0.328005 0.086366 0.179184 ] [ 0.671995 0.913634 0.820816 ] [ 0.232952 0.572642 0.713928 ] [ 0.767048 0.427358 0.286072 ] [ 0.284172 0.399196 0.320437 ] [ 0.715828 0.600804 0.679563 ] [ 0.217366 0.15486 0.573182 ] [ 0.782634 0.84514 0.426818 ] [ 0.264145 0.81839 0.456422 ] [ 0.735855 0.18161 0.543578 ] [ 0.505138 0.592058 0.877564 ] [ 0.494862 0.407942 0.122436 ] [ 0.966472 0.607441 0.85843 ] [ 0.033528 0.392559 0.14157 ] [ 0.485718 0.720156 0.242745 ] [ 0.514282 0.279844 0.757255 ] [ 0.060949 0.772571 0.260456 ] [ 0.939051 0.227429 0.739544 ] [ 0.476778 0.914605 0.630617 ] [ 0.523222 0.085395 0.369383 ] [ 0.947917 0.892348 0.642457 ] [ 0.052083 0.107652 0.357543 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "Pt" "Pt" "Pt" "Pt" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 7.37148135 "source-unit" "angstrom" } "b" { "source-value" 9.11242655 "source-unit" "angstrom" } "c" { "source-value" 15.50620344 "source-unit" "angstrom" } "alpha" { "source-value" 89.08727903 "source-unit" "degree" } "beta" { "source-value" 87.30040401 "source-unit" "degree" } "gamma" { "source-value" 84.93871373 "source-unit" "degree" } }