{ "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" [ [ 0.242914 0.713769 0.839677 ] [ 0.692225 0.914717 0.293586 ] [ 0.837568 0.596136 0.451319 ] [ 0.162432 0.403864 0.548681 ] [ 0.307775 0.085283 0.706414 ] [ 0.757086 0.286231 0.160323 ] [ 0 0 0 ] [ 0.596898 0.194943 0.648682 ] [ 0.476203 0.613005 0.178385 ] [ 0.523797 0.386995 0.821615 ] [ 0.403102 0.805057 0.351318 ] [ 0.86423 0.509876 0.7263 ] [ 0.213413 0.636323 0.606842 ] [ 0.330125 0.134188 0.415671 ] [ 0.963175 0.321117 0.269412 ] [ 0.732283 0.464671 0.503607 ] [ 0.816024 0.737616 0.098754 ] [ 0.88481 0.943248 0.822371 ] [ 0.877869 0.14145 0.620412 ] [ 0.122131 0.85855 0.379588 ] [ 0.11519 0.056752 0.177629 ] [ 0.183976 0.262384 0.901246 ] [ 0.267717 0.535329 0.496393 ] [ 0.036825 0.678883 0.730588 ] [ 0.669875 0.865812 0.584329 ] [ 0.786587 0.363677 0.393158 ] [ 0.13577 0.490124 0.2737 ] [ 0.198955 0.921142 0.323413 ] [ 0.254595 0.783365 0.010105 ] [ 0.291182 0.645027 0.149617 ] [ 0.1373 0.71493 0.685129 ] [ 0.209079 0.514745 0.963238 ] [ 0.476674 0.953816 0.274065 ] [ 0.461418 0.576504 0.738021 ] [ 0.777984 0.815306 0.998137 ] [ 0.068639 0.138726 0.086463 ] [ 0.81801 0.705248 0.260012 ] [ 0.384057 0.385102 0.988254 ] [ 0.689345 0.822941 0.493674 ] [ 0.925346 0.539449 0.621324 ] [ 0.202516 0.939702 0.77826 ] [ 0.797484 0.060298 0.22174 ] [ 0.074654 0.460551 0.378676 ] [ 0.310655 0.177059 0.506326 ] [ 0.615943 0.614898 0.011746 ] [ 0.18199 0.294752 0.739988 ] [ 0.931361 0.861274 0.913537 ] [ 0.222016 0.184694 0.001863 ] [ 0.538582 0.423496 0.261979 ] [ 0.523326 0.046184 0.725935 ] [ 0.790921 0.485255 0.036762 ] [ 0.8627 0.28507 0.314871 ] [ 0.708818 0.354973 0.850383 ] [ 0.745405 0.216635 0.989895 ] [ 0.801045 0.078858 0.676587 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Zn" "P" "P" "P" "P" "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" "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" 8.75520383 "source-unit" "angstrom" } "b" { "source-value" 8.81535552 "source-unit" "angstrom" } "c" { "source-value" 9.50450855 "source-unit" "angstrom" } "alpha" { "source-value" 72.04437124 "source-unit" "degree" } "beta" { "source-value" 69.93843001 "source-unit" "degree" } "gamma" { "source-value" 63.76268865 "source-unit" "degree" } }