{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.674429 0.243777 0.514181 ] [ 0.174429 0.756223 0.014181 ] [ 0.310959 0.266139 0.498621 ] [ 0.810959 0.733861 0.998621 ] [ 0.831329 0.730304 0.507634 ] [ 0.331329 0.269696 0.007634 ] [ 0.171827 0.751762 0.489337 ] [ 0.671827 0.248238 0.989337 ] [ 0.687702 0.549935 0.72419 ] [ 0.187702 0.450065 0.22419 ] [ 0.293695 0.98138 0.293596 ] [ 0.793695 0.01862 0.793596 ] [ 0.188018 0.058641 0.708657 ] [ 0.688018 0.941359 0.208657 ] [ 0.921782 0.339655 0.385799 ] [ 0.421782 0.660345 0.885799 ] [ 0.040778 0.422688 0.604662 ] [ 0.540778 0.577312 0.104662 ] [ 0.98573 0.8333 0.299293 ] [ 0.485731 0.1667 0.799293 ] [ 0.490697 0.948277 0.61937 ] [ 0.990697 0.051723 0.11937 ] [ 0.495511 0.579243 0.415247 ] [ 0.50915 0.391711 0.272253 ] [ 0.995511 0.420757 0.915247 ] [ 0.00915 0.608289 0.772253 ] [ 0.919806 0.118027 0.632434 ] [ 0.419806 0.881973 0.132434 ] [ 0.320023 0.570472 0.703682 ] [ 0.820023 0.429528 0.203682 ] [ 0.559025 0.896182 0.39439 ] [ 0.059025 0.103818 0.89439 ] [ 0.694012 0.547356 0.613877 ] [ 0.194012 0.452644 0.113877 ] [ 0.319638 0.956558 0.394952 ] [ 0.819638 0.043442 0.894952 ] [ 0.168462 0.076281 0.606647 ] [ 0.668462 0.923719 0.106647 ] [ 0.819681 0.418556 0.395843 ] [ 0.319681 0.581444 0.895843 ] [ 0.013049 0.603635 0.623967 ] [ 0.513049 0.396365 0.123967 ] [ 0.987805 0.871923 0.400747 ] [ 0.487805 0.128077 0.900747 ] [ 0.494907 0.136314 0.610714 ] [ 0.994907 0.863686 0.110714 ] [ 0.506821 0.398965 0.386984 ] [ 0.006821 0.601035 0.886984 ] [ 0.818214 0.038066 0.618031 ] [ 0.318214 0.961934 0.118031 ] [ 0.182851 0.453571 0.385124 ] [ 0.682851 0.546429 0.885124 ] [ 0.327031 0.581166 0.601152 ] [ 0.827031 0.418834 0.101152 ] [ 0.669252 0.93534 0.400505 ] [ 0.169252 0.06466 0.900505 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "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" 8.68240157525 "source-unit" "angstrom" } "b" { "source-value" 5.17990507 "source-unit" "angstrom" } "c" { "source-value" 9.53086293204 "source-unit" "angstrom" } "beta" { "source-value" 91.4163444242 "source-unit" "degree" } }