{ "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" [ [ 0.250057 0.671964 0.183671 ] [ 0.755775 0.679856 0.687171 ] [ 0.243669 0.323403 0.313389 ] [ 0.74726 0.325624 0.814518 ] [ 0.78736 0.767095 0.376045 ] [ 0.292674 0.766349 0.876621 ] [ 0.712371 0.233606 0.127678 ] [ 0.212536 0.243943 0.629392 ] [ 0.775959 0.738008 0.036011 ] [ 0.2733 0.742034 0.53966 ] [ 0.726023 0.260359 0.462523 ] [ 0.225949 0.256643 0.96138 ] [ 0.555688 0.820973 0.060284 ] [ 0.059521 0.829861 0.567139 ] [ 0.362463 0.702547 0.395083 ] [ 0.882537 0.678986 0.153541 ] [ 0.383664 0.681896 0.655661 ] [ 0.125961 0.290016 0.101946 ] [ 0.873391 0.706493 0.894451 ] [ 0.612087 0.309271 0.341176 ] [ 0.117696 0.316676 0.843549 ] [ 0.630343 0.297683 0.603434 ] [ 0.948419 0.181375 0.439011 ] [ 0.445297 0.175338 0.936669 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Fe" "Fe" "Fe" "B" "B" "B" "B" "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" 5.18081326 "source-unit" "angstrom" } "b" { "source-value" 6.0045298 "source-unit" "angstrom" } "c" { "source-value" 9.12871758 "source-unit" "angstrom" } "alpha" { "source-value" 104.74440586 "source-unit" "degree" } "beta" { "source-value" 89.83055566 "source-unit" "degree" } "gamma" { "source-value" 113.33714396 "source-unit" "degree" } }