{ "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" [ [ 0.50555 0.006128 0.002369 ] [ 0.467064 0.709081 0.748251 ] [ 0.261821 0.045507 0.704123 ] [ 0.253008 0.536405 0.213992 ] [ 0.033468 0.783312 0.258614 ] [ 0.217443 0.750522 0.525835 ] [ 0.488173 0.495361 0.507705 ] [ 0.713675 0.744296 0.037052 ] [ 0.007311 0.996218 0.491645 ] [ 0.995133 0.491316 0.000047 ] [ 0.282793 0.256895 0.968386 ] [ 0.773598 0.24757 0.471981 ] [ 0.959955 0.21501 0.762197 ] [ 0.751686 0.971887 0.277136 ] [ 0.749619 0.467341 0.784257 ] [ 0.534364 0.286286 0.250374 ] [ 0.735 0.992505 0.04015 ] [ 0.273122 0.766193 0.259587 ] [ 0.227749 0.468566 0.009052 ] [ 0.468603 0.7459 0.492937 ] [ 0.27075 0.035055 0.460966 ] [ 0.733747 0.228192 0.726297 ] [ 0.540048 0.274318 0.503623 ] [ 0.453857 0.502393 0.270557 ] [ 0.777963 0.549004 0.997041 ] [ 0.012611 0.468029 0.763354 ] [ 0.215517 0.256981 0.744019 ] [ 0.768932 0.225347 0.236483 ] [ 0.034235 0.039679 0.223624 ] [ 0.953157 0.725458 0.538191 ] [ 0.541067 0.504723 0.728416 ] [ 0.491766 0.227367 0.044987 ] [ 0.266459 0.986204 0.956742 ] [ 0.731749 0.959509 0.553847 ] [ 0.516706 0.782768 0.9378 ] [ 0.951785 0.954503 0.76276 ] [ 0.984473 0.535452 0.246276 ] [ 0.043497 0.269136 0.452153 ] [ 0.236039 0.780266 0.779584 ] [ 0.776509 0.719318 0.267591 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 8.84809382 "source-unit" "angstrom" } "b" { "source-value" 8.85538937 "source-unit" "angstrom" } "c" { "source-value" 8.85839222 "source-unit" "angstrom" } "alpha" { "source-value" 109.52458622 "source-unit" "degree" } "beta" { "source-value" 109.29541497 "source-unit" "degree" } "gamma" { "source-value" 109.48181403 "source-unit" "degree" } }