{ "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" [ [ 0.060051 0.330774 0.142698 ] [ 0.391607 0.666419 0.477081 ] [ 0.728408 0.995188 0.808474 ] [ 0.273592 0.001679 0.18978 ] [ 0.605264 0.335893 0.525717 ] [ 0.937795 0.667435 0.856791 ] [ 0.9957 0.996943 0.500413 ] [ 0.665358 0.665806 0.666742 ] [ 0.668622 0.669008 0.16627 ] [ 0.004066 0.002575 0.999503 ] [ 0.33431 0.332804 0.833859 ] [ 0.333426 0.33335 0.333312 ] [ 0.262663 0.941235 0.70678 ] [ 0.069457 0.388922 0.626836 ] [ 0.405904 0.724077 0.960212 ] [ 0.597289 0.278759 0.040956 ] [ 0.927686 0.611328 0.371893 ] [ 0.738801 0.056075 0.293489 ] [ 0.084176 0.779202 0.439438 ] [ 0.231 0.860287 0.946282 ] [ 0.241542 0.99244 0.607883 ] [ 0.089499 0.338823 0.72534 ] [ 0.100724 0.473262 0.383919 ] [ 0.251407 0.553659 0.895122 ] [ 0.017699 0.14411 0.260875 ] [ 0.437878 0.804445 0.721442 ] [ 0.350259 0.476797 0.593503 ] [ 0.425332 0.673221 0.059204 ] [ 0.582818 0.88822 0.226204 ] [ 0.686282 0.814724 0.927471 ] [ 0.316655 0.189249 0.073441 ] [ 0.415133 0.111563 0.772174 ] [ 0.575912 0.327691 0.942102 ] [ 0.649257 0.522774 0.404573 ] [ 0.565259 0.193653 0.281509 ] [ 0.981263 0.853014 0.740316 ] [ 0.751101 0.448086 0.107229 ] [ 0.892353 0.525038 0.613373 ] [ 0.911437 0.663695 0.273156 ] [ 0.75637 0.004988 0.39259 ] [ 0.77277 0.142957 0.053374 ] [ 0.91675 0.220018 0.559825 ] [ 0.024354 0.151417 0.887427 ] [ 0.343889 0.476149 0.225189 ] [ 0.323163 0.190892 0.441537 ] [ 0.673062 0.816782 0.552448 ] [ 0.643368 0.507491 0.783512 ] [ 0.989287 0.857086 0.108735 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "V" "V" "V" "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" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.23900348 "source-unit" "angstrom" } "b" { "source-value" 7.50051326 "source-unit" "angstrom" } "c" { "source-value" 14.7478796 "source-unit" "angstrom" } "alpha" { "source-value" 93.3065944 "source-unit" "degree" } "beta" { "source-value" 94.21628595 "source-unit" "degree" } "gamma" { "source-value" 105.27385047 "source-unit" "degree" } }