{ "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" [ [ 0.167855 0.848013 0.66258 ] [ 0.354452 0.701871 0.39995 ] [ 0.606954 0.945842 0.905194 ] [ 0.920214 0.569248 0.159072 ] [ 0.427241 0.073972 0.163462 ] [ 0.404404 0.727358 0.129529 ] [ 0.088084 0.768257 0.878083 ] [ 0.842818 0.866837 0.388533 ] [ 0.655632 0.63501 0.622903 ] [ 0.353518 0.345673 0.381119 ] [ 0.145781 0.169951 0.634299 ] [ 0.909895 0.2262 0.133881 ] [ 0.60284 0.27319 0.873147 ] [ 0.648895 0.977091 0.636028 ] [ 0.887163 0.889191 0.124033 ] [ 0.143449 0.494038 0.628151 ] [ 0.408106 0.395132 0.125533 ] [ 0.858054 0.524914 0.374645 ] [ 0.59954 0.606762 0.880116 ] [ 0.340996 0.012834 0.373165 ] [ 0.11056 0.107663 0.879963 ] [ 0.13295 0.869247 0.095332 ] [ 0.440247 0.855852 0.327077 ] [ 0.228079 0.966357 0.867521 ] [ 0.510238 0.834366 0.619587 ] [ 0.886459 0.967026 0.602194 ] [ 0.785967 0.78082 0.165186 ] [ 0.284687 0.536076 0.143085 ] [ 0.035971 0.647364 0.663449 ] [ 0.687677 0.710459 0.827597 ] [ 0.630551 0.546579 0.424315 ] [ 0.97778 0.653719 0.364146 ] [ 0.392042 0.65494 0.940137 ] [ 0.641558 0.378138 0.082919 ] [ 0.372103 0.484545 0.583681 ] [ 0.307933 0.277664 0.156599 ] [ 0.959933 0.378467 0.333261 ] [ 0.719199 0.473798 0.877491 ] [ 0.23101 0.224775 0.856516 ] [ 0.144318 0.031598 0.436606 ] [ 0.45235 0.127096 0.345484 ] [ 0.021767 0.372676 0.638453 ] [ 0.74363 0.008637 0.104219 ] [ 0.540198 0.122222 0.683927 ] [ 0.867449 0.128361 0.913791 ] ] } "species" { "source-value" [ "Li" "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" 5.27166694 "source-unit" "angstrom" } "b" { "source-value" 9.04378772 "source-unit" "angstrom" } "c" { "source-value" 11.42009202 "source-unit" "angstrom" } "alpha" { "source-value" 113.07253879 "source-unit" "degree" } "beta" { "source-value" 102.26797238 "source-unit" "degree" } "gamma" { "source-value" 89.82328154 "source-unit" "degree" } }