{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.374703 0.751371 0.953204 ] [ 0.708855 0.417512 0.786401 ] [ 0.973692 0.946494 0.878691 ] [ 0.042832 0.083924 0.619604 ] [ 0.306145 0.613136 0.7117 ] [ 0.375595 0.748772 0.452884 ] [ 0.638206 0.279714 0.544947 ] [ 0.97132 0.940949 0.379031 ] [ 0.96797 0.935973 0.129158 ] [ 0.303002 0.602616 0.211125 ] [ 0.63661 0.272712 0.04605 ] [ 0.010484 0.02464 0.99893 ] [ 0.346655 0.694924 0.831692 ] [ 0.678106 0.359733 0.914908 ] [ 0.680729 0.362382 0.664683 ] [ 0.013747 0.02914 0.748031 ] [ 0.012107 0.027085 0.497863 ] [ 0.34743 0.694689 0.581126 ] [ 0.350932 0.691541 0.331508 ] [ 0.68063 0.358295 0.41413 ] [ 0.683101 0.350737 0.166608 ] [ 0.002723 0.013546 0.253202 ] [ 0.342474 0.676016 0.081751 ] [ 0.617538 0.98862 0.876898 ] [ 0.78221 0.193944 0.979322 ] [ 0.248963 0.111412 0.938628 ] [ 0.07716 0.540015 0.895949 ] [ 0.543951 0.45842 0.855182 ] [ 0.950026 0.654756 0.71003 ] [ 0.710391 0.665931 0.957689 ] [ 0.114678 0.860546 0.812622 ] [ 0.581825 0.778392 0.771608 ] [ 0.412749 0.207465 0.729296 ] [ 0.87782 0.125398 0.688158 ] [ 0.282111 0.321498 0.543454 ] [ 0.042657 0.330807 0.790996 ] [ 0.447611 0.527073 0.646 ] [ 0.915016 0.445089 0.604805 ] [ 0.746276 0.873907 0.562623 ] [ 0.212794 0.79398 0.521532 ] [ 0.619903 0.992842 0.376769 ] [ 0.376569 0.996648 0.624339 ] [ 0.780317 0.194953 0.479256 ] [ 0.24816 0.111556 0.438089 ] [ 0.077533 0.548383 0.394307 ] [ 0.535877 0.474416 0.359006 ] [ 0.957548 0.666342 0.207269 ] [ 0.714488 0.662753 0.458851 ] [ 0.119472 0.872294 0.312722 ] [ 0.579341 0.794088 0.269931 ] [ 0.387843 0.196759 0.22219 ] [ 0.870483 0.128177 0.188997 ] [ 0.290199 0.330937 0.041791 ] [ 0.074097 0.338982 0.290534 ] [ 0.47027 0.549566 0.145016 ] [ 0.918936 0.46344 0.104423 ] [ 0.746079 0.874672 0.062025 ] [ 0.214466 0.797914 0.022381 ] [ 0.382328 0.003589 0.123118 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.26560761 "source-unit" "angstrom" } "b" { "source-value" 5.58054003 "source-unit" "angstrom" } "c" { "source-value" 26.0878423 "source-unit" "angstrom" } "alpha" { "source-value" 92.66580522 "source-unit" "degree" } "beta" { "source-value" 89.92000048 "source-unit" "degree" } "gamma" { "source-value" 118.14633229 "source-unit" "degree" } }