{ "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" [ [ 0.921345 0.389686 0.177115 ] [ 0.506292 0.996346 0.504202 ] [ 0.999041 0.004332 0.993137 ] [ 0.440629 0.358328 0.759292 ] [ 0.555079 0.643782 0.241363 ] [ 0.274383 0.225128 0.911418 ] [ 0.360581 0.220404 0.603195 ] [ 0.365085 0.663543 0.664559 ] [ 0.241977 0.669175 0.131577 ] [ 0.747627 0.315063 0.891877 ] [ 0.643901 0.337038 0.335823 ] [ 0.646929 0.790727 0.391527 ] [ 0.719485 0.760969 0.086728 ] [ 0.117448 0.06796 0.245821 ] [ 0.879254 0.941414 0.75095 ] ] } "species" { "source-value" [ "Li" "Mn" "V" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.19161788 "source-unit" "angstrom" } "b" { "source-value" 5.26969552 "source-unit" "angstrom" } "c" { "source-value" 7.38128354 "source-unit" "angstrom" } "alpha" { "source-value" 108.89418105 "source-unit" "degree" } "beta" { "source-value" 104.78982823 "source-unit" "degree" } "gamma" { "source-value" 96.99641889 "source-unit" "degree" } }