{ "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" [ [ 0.482689 0.496326 0.498233 ] [ 0.002631 0.601345 0.016199 ] [ 0.411813 0.063751 0.257242 ] [ 0.579639 0.934542 0.737602 ] [ 0.995663 0.102696 0.844183 ] [ 0.992201 0.884542 0.158302 ] [ 0.287534 0.672083 0.298366 ] [ 0.159297 0.764013 0.636075 ] [ 0.35514 0.576036 0.812746 ] [ 0.700461 0.326601 0.704742 ] [ 0.830149 0.237005 0.358431 ] [ 0.633742 0.428282 0.182582 ] [ 0.197073 0.564754 0.903207 ] [ 0.864305 0.849323 0.647302 ] [ 0.156794 0.023504 0.170877 ] [ 0.018188 0.749342 0.25366 ] [ 0.126208 0.152523 0.34448 ] [ 0.058709 0.795697 0.07348 ] [ 0.265438 0.536177 0.375579 ] [ 0.291134 0.022248 0.824229 ] [ 0.174817 0.625488 0.727713 ] [ 0.441688 0.298848 0.19106 ] [ 0.237012 0.683133 0.548936 ] [ 0.838741 0.963005 0.823192 ] [ 0.466396 0.607121 0.207008 ] [ 0.405414 0.826354 0.319951 ] [ 0.320115 0.903024 0.651281 ] [ 0.671595 0.097262 0.341822 ] [ 0.584264 0.174248 0.679558 ] [ 0.962604 0.249228 0.753244 ] [ 0.789843 0.45675 0.092787 ] [ 0.753866 0.314536 0.446431 ] [ 0.699249 0.969255 0.171752 ] [ 0.814731 0.376693 0.267519 ] [ 0.559704 0.69745 0.800625 ] [ 0.729635 0.461583 0.627342 ] [ 0.92658 0.169788 0.934853 ] [ 0.508186 0.391526 0.793908 ] ] } "species" { "source-value" [ "Li" "Li" "Mo" "Mo" "P" "P" "P" "P" "P" "P" "P" "P" "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" 5.22229620275 "source-unit" "angstrom" } "b" { "source-value" 8.02749142399 "source-unit" "angstrom" } "c" { "source-value" 14.4558835157 "source-unit" "angstrom" } "alpha" { "source-value" 82.8747894689 "source-unit" "degree" } "beta" { "source-value" 83.6371349816 "source-unit" "degree" } "gamma" { "source-value" 80.125849383 "source-unit" "degree" } }