{ "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" [ [ 0.15797 0.167543 0.642628 ] [ 0.330111 0.317985 0.909025 ] [ 0.655146 0.679831 0.654057 ] [ 0.839223 0.833729 0.361435 ] [ 0.151979 0.838587 0.629811 ] [ 0.178968 0.497655 0.136983 ] [ 0.323421 0.988469 0.881811 ] [ 0.331688 0.657768 0.377301 ] [ 0.665467 0.338646 0.625856 ] [ 0.668127 0.009269 0.128672 ] [ 0.836875 0.168777 0.373815 ] [ 0.828844 0.496126 0.888003 ] [ 0.168978 0.498093 0.630536 ] [ 0.176041 0.837218 0.142561 ] [ 0.331825 0.992895 0.381254 ] [ 0.325633 0.657786 0.866544 ] [ 0.652643 0.005094 0.627318 ] [ 0.660649 0.32848 0.117734 ] [ 0.835019 0.50599 0.390941 ] [ 0.835602 0.172255 0.876358 ] [ 0.087542 0.504068 0.349863 ] [ 0.091893 0.16815 0.856935 ] [ 0.205958 0.785768 0.834768 ] [ 0.222319 0.855197 0.418074 ] [ 0.195348 0.115123 0.397496 ] [ 0.187419 0.535612 0.910906 ] [ 0.302533 0.36832 0.644345 ] [ 0.329026 0.94357 0.085502 ] [ 0.288738 0.624628 0.587538 ] [ 0.287022 0.704857 0.184049 ] [ 0.407044 0.334537 0.097447 ] [ 0.400378 0.009114 0.665913 ] [ 0.584444 0.990824 0.334134 ] [ 0.586817 0.6421 0.848287 ] [ 0.696162 0.30366 0.833355 ] [ 0.725204 0.376748 0.436238 ] [ 0.696975 0.634872 0.38882 ] [ 0.690421 0.063068 0.933315 ] [ 0.817112 0.44493 0.076352 ] [ 0.781864 0.875039 0.612739 ] [ 0.78034 0.138803 0.599562 ] [ 0.780053 0.205393 0.171516 ] [ 0.920606 0.860879 0.163543 ] [ 0.907537 0.502128 0.665143 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "B" "B" "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" 5.23957583 "source-unit" "angstrom" } "b" { "source-value" 9.1696118 "source-unit" "angstrom" } "c" { "source-value" 10.18843598 "source-unit" "angstrom" } "alpha" { "source-value" 88.76667797 "source-unit" "degree" } "beta" { "source-value" 89.45730068 "source-unit" "degree" } "gamma" { "source-value" 89.51447167 "source-unit" "degree" } }