{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.998852 0.479066 0.001508 ] [ 0.001148 0.979066 0.998492 ] [ 0.493935 0.726092 0.013096 ] [ 0.506065 0.226092 0.986904 ] [ 0.988208 0.829966 0.499968 ] [ 0.011792 0.329966 0.500032 ] [ 0.707472 0.548589 0.458621 ] [ 0.292528 0.048589 0.541379 ] [ 0.11278 0.503609 0.377302 ] [ 0.88722 0.003609 0.622698 ] [ 0.581817 0.672148 0.437159 ] [ 0.418183 0.172148 0.562841 ] [ 0.039594 0.731525 0.120394 ] [ 0.960406 0.231525 0.879606 ] [ 0.692796 0.481038 0.02168 ] [ 0.307204 0.981038 0.97832 ] [ 0.30705 0.464935 0.021996 ] [ 0.69295 0.964935 0.978004 ] [ 0.597423 0.7787 0.308645 ] [ 0.402577 0.2787 0.691355 ] [ 0.436963 0.701146 0.541266 ] [ 0.563037 0.201146 0.458734 ] [ 0.997916 0.483487 0.458343 ] [ 0.002084 0.983487 0.541657 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "H" "H" "H" "H" "H" "H" "N" "N" "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" 6.00126595 "source-unit" "angstrom" } "b" { "source-value" 5.94341037 "source-unit" "angstrom" } "c" { "source-value" 8.18104941 "source-unit" "angstrom" } "beta" { "source-value" 91.07547211 "source-unit" "degree" } }