{ "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" [ [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.257024 0.715795 0.443822 ] [ 0.762768 0.804994 0.042056 ] [ 0.233645 0.214054 0.439457 ] [ 0.742976 0.284205 0.556178 ] [ 0.796879 0.254784 0.042284 ] [ 0.237232 0.195006 0.957944 ] [ 0.766355 0.785946 0.560543 ] [ 0.203121 0.745216 0.957716 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "W" "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" 5.82562773 "source-unit" "angstrom" } "b" { "source-value" 5.93609118 "source-unit" "angstrom" } "c" { "source-value" 5.99645203 "source-unit" "angstrom" } "alpha" { "source-value" 117.41055454 "source-unit" "degree" } "beta" { "source-value" 115.27158697 "source-unit" "degree" } "gamma" { "source-value" 93.32393552 "source-unit" "degree" } }