{ "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" [ [ 0.244151 0.635061 0.668649 ] [ 0.755849 0.364939 0.331351 ] [ 0.601274 0.261221 0.771975 ] [ 0.398726 0.738779 0.228025 ] [ 0.934859 0.932131 0.7402 ] [ 0.065141 0.067869 0.2598 ] [ 0.676276 0.690276 0.739074 ] [ 0.194649 0.901861 0.785908 ] [ 0.930288 0.206125 0.691947 ] [ 0.069712 0.793875 0.308053 ] [ 0.805351 0.098139 0.214092 ] [ 0.323724 0.309724 0.260926 ] ] } "species" { "source-value" [ "Li" "Li" "Cu" "Cu" "C" "C" "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" 5.03701553 "source-unit" "angstrom" } "b" { "source-value" 5.10451099 "source-unit" "angstrom" } "c" { "source-value" 6.45094623 "source-unit" "angstrom" } "alpha" { "source-value" 111.29094576 "source-unit" "degree" } "beta" { "source-value" 90.26212578 "source-unit" "degree" } "gamma" { "source-value" 118.59431864 "source-unit" "degree" } }