{ "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" [ [ 0.265835 0.868341 0.692713 ] [ 0.065939 0.464319 0.641271 ] [ 0.400444 0.79736 0.974639 ] [ 0.599878 0.202692 0.025665 ] [ 0.933331 0.536369 0.35857 ] [ 0.733967 0.13114 0.307108 ] [ 0.333774 0.33437 0.333601 ] [ 0.999631 0.999997 0.499455 ] [ 0.000207 0.999589 0.000202 ] [ 0.3337 0.333584 0.833838 ] [ 0.666527 0.666007 0.666232 ] [ 0.666584 0.666638 0.166759 ] [ 0.019418 0.380564 0.147927 ] [ 0.313368 0.953108 0.185729 ] [ 0.351812 0.714296 0.481337 ] [ 0.646616 0.286974 0.518557 ] [ 0.686859 0.046217 0.81449 ] [ 0.981931 0.61936 0.85224 ] [ 0.04484 0.986251 0.325688 ] [ 0.286211 0.345384 0.007556 ] [ 0.379438 0.320313 0.659727 ] [ 0.620822 0.679072 0.340873 ] [ 0.713517 0.654541 0.992332 ] [ 0.955554 0.013136 0.673162 ] [ 0.082836 0.827547 0.900739 ] [ 0.041573 0.838259 0.218691 ] [ 0.13727 0.792033 0.450081 ] [ 0.197162 0.540395 0.882931 ] [ 0.295453 0.957377 0.077822 ] [ 0.036371 0.374643 0.255764 ] [ 0.367987 0.709117 0.589018 ] [ 0.252122 0.506434 0.432296 ] [ 0.048702 0.093884 0.3719 ] [ 0.291408 0.49562 0.115094 ] [ 0.286166 0.238268 0.961683 ] [ 0.589543 0.837255 0.765858 ] [ 0.529755 0.874686 0.215024 ] [ 0.378584 0.428122 0.704682 ] [ 0.624243 0.82869 0.44889 ] [ 0.374381 0.172221 0.550586 ] [ 0.620082 0.572596 0.294727 ] [ 0.470212 0.124396 0.78527 ] [ 0.413744 0.161584 0.233883 ] [ 0.714262 0.761247 0.038553 ] [ 0.709275 0.50427 0.884868 ] [ 0.9522 0.904165 0.627919 ] [ 0.744082 0.495448 0.567764 ] [ 0.63077 0.292371 0.410668 ] [ 0.965238 0.624511 0.744619 ] [ 0.704438 0.042099 0.922476 ] [ 0.803775 0.459655 0.1185 ] [ 0.861457 0.209064 0.548451 ] [ 0.958609 0.162103 0.781851 ] [ 0.918092 0.17232 0.099725 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "Fe" "Fe" "Fe" "P" "P" "P" "P" "P" "P" "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" "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" 5.44240135 "source-unit" "angstrom" } "b" { "source-value" 7.50872776 "source-unit" "angstrom" } "c" { "source-value" 14.48130266 "source-unit" "angstrom" } "alpha" { "source-value" 95.21348131 "source-unit" "degree" } "beta" { "source-value" 92.59184316 "source-unit" "degree" } "gamma" { "source-value" 110.7236378 "source-unit" "degree" } }