{ "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" [ [ 0.979868 0.746028 0.285995 ] [ 0.601527 0.20178 0.595456 ] [ 0.222556 0.976184 0.67676 ] [ 0.981978 0.315387 0.797445 ] [ 0.053339 0.135825 0.403261 ] [ 0.859658 0.450491 0.4227 ] [ 0.85213 0.857953 0.571944 ] [ 0.552751 0.541764 0.211011 ] [ 0.331582 0.945214 0.232827 ] [ 0.404077 0.481054 0.830682 ] [ 0.6549 0.178687 0.228536 ] [ 0.694309 0.712573 0.971884 ] [ 0.421121 0.747108 0.364707 ] [ 0.917286 0.00501 0.901105 ] [ 0.633635 0.10691 0.059793 ] [ 0.199012 0.635125 0.879637 ] [ 0.292233 0.374901 0.023458 ] [ 0.823137 0.497761 0.676808 ] [ 0.594429 0.852416 0.425539 ] [ 0.078138 0.255084 0.169647 ] [ 0.382653 0.710865 0.601275 ] [ 0.39384 0.832208 0.992531 ] [ 0.681415 0.681272 0.14149 ] [ 0.039275 0.169617 0.007394 ] [ 0.406071 0.421329 0.013459 ] [ 0.044194 0.463542 0.331272 ] [ 0.820309 0.881834 0.994488 ] [ 0.124844 0.313023 0.295255 ] [ 0.499369 0.097342 0.298905 ] [ 0.969988 0.977499 0.482504 ] [ 0.832851 0.39907 0.598531 ] [ 0.7626 0.083307 0.799205 ] [ 0.841539 0.193036 0.336992 ] [ 0.160463 0.006766 0.275011 ] [ 0.324526 0.757764 0.520969 ] [ 0.650167 0.381105 0.266318 ] [ 0.304753 0.883643 0.038547 ] [ 0.183742 0.224858 0.611487 ] [ 0.67686 0.955156 0.644361 ] [ 0.496094 0.684683 0.866905 ] [ 0.986283 0.884064 0.763992 ] [ 0.767448 0.55321 0.869033 ] [ 0.824849 0.656422 0.456356 ] [ 0.360591 0.327177 0.660653 ] [ 0.615101 0.420277 0.833636 ] [ 0.202511 0.523674 0.820237 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "Si" "Si" "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" 8.0798224 "source-unit" "angstrom" } "b" { "source-value" 8.46159432 "source-unit" "angstrom" } "c" { "source-value" 8.94236953 "source-unit" "angstrom" } "alpha" { "source-value" 103.17896322 "source-unit" "degree" } "beta" { "source-value" 99.9641029 "source-unit" "degree" } "gamma" { "source-value" 96.66141605 "source-unit" "degree" } }