{ "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" [ [ 0.377285 0.80175 0.196099 ] [ 0.622715 0.19825 0.803901 ] [ 0.046584 0.12272 0.817943 ] [ 0.953416 0.87728 0.182057 ] [ 0.225442 0.732215 0.7864 ] [ 0.810904 0.623225 0.538874 ] [ 0.666318 0.741302 0.814029 ] [ 0.333682 0.258698 0.185971 ] [ 0.189096 0.376775 0.461126 ] [ 0.774558 0.267785 0.2136 ] [ 0.181862 0.869861 0.881976 ] [ 0.689114 0.713292 0.626233 ] [ 0.261503 0.483329 0.965285 ] [ 0.851231 0.364512 0.689256 ] [ 0.800091 0.927654 0.869437 ] [ 0.033437 0.749558 0.563596 ] [ 0.425668 0.814572 0.724755 ] [ 0.695802 0.715084 0.280291 ] [ 0.304198 0.284916 0.719709 ] [ 0.574332 0.185428 0.275245 ] [ 0.966563 0.250442 0.436404 ] [ 0.199909 0.072346 0.130563 ] [ 0.148769 0.635488 0.310744 ] [ 0.738497 0.516671 0.034715 ] [ 0.310886 0.286708 0.373767 ] [ 0.818138 0.130139 0.118024 ] ] } "species" { "source-value" [ "Li" "Li" "Ti" "Ti" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "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" 7.09903189 "source-unit" "angstrom" } "b" { "source-value" 7.18947772 "source-unit" "angstrom" } "c" { "source-value" 7.52632673 "source-unit" "angstrom" } "alpha" { "source-value" 117.16128373 "source-unit" "degree" } "beta" { "source-value" 105.69704685 "source-unit" "degree" } "gamma" { "source-value" 98.89070337 "source-unit" "degree" } }