{ "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" [ [ 0.168566 0.845909 0.497435 ] [ 0.607914 0.729506 0.83206 ] [ 0.392086 0.270494 0.16794 ] [ 0.831434 0.154091 0.502565 ] [ 0.282732 0.052943 0.834443 ] [ 0.717268 0.947057 0.165557 ] [ 0.038037 0.613333 0.166615 ] [ 0.5 0.5 0.5 ] [ 0.961963 0.386667 0.833385 ] [ 0.135241 0.261881 0.340486 ] [ 0.864759 0.738119 0.659514 ] [ 0.22934 0.443814 0.672851 ] [ 0.579126 0.146385 0.669597 ] [ 0.290352 0.648369 0.991815 ] [ 0 0 0 ] [ 0.709648 0.351631 0.008185 ] [ 0.420874 0.853615 0.330403 ] [ 0.77066 0.556186 0.327149 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "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" 5.03823166 "source-unit" "angstrom" } "b" { "source-value" 5.08712433 "source-unit" "angstrom" } "c" { "source-value" 7.62320871 "source-unit" "angstrom" } "alpha" { "source-value" 109.20093956 "source-unit" "degree" } "beta" { "source-value" 89.55531507 "source-unit" "degree" } "gamma" { "source-value" 118.11150122 "source-unit" "degree" } }