{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.716603 0.741966 0.956909 ] [ 0.236132 0.741186 0.947682 ] [ 0.243712 0.276602 0.495274 ] [ 0.762953 0.290958 0.521491 ] [ 0.237047 0.709042 0.478509 ] [ 0.756288 0.723397 0.504726 ] [ 0.763868 0.258814 0.052318 ] [ 0.283397 0.258034 0.043091 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Mn" "Mn" "Mn" "Ni" "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" 5.77509556 "source-unit" "angstrom" } "b" { "source-value" 5.8851718 "source-unit" "angstrom" } "c" { "source-value" 5.93330765 "source-unit" "angstrom" } "alpha" { "source-value" 119.46144367 "source-unit" "degree" } "beta" { "source-value" 118.86433263 "source-unit" "degree" } "gamma" { "source-value" 90.25534369 "source-unit" "degree" } }