{ "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" [ [ 0.228816 0.086206 0.192892 ] [ 0.771184 0.913794 0.807108 ] [ 0 0.5 0 ] [ 0.685545 0.720831 0.308097 ] [ 0.314455 0.279169 0.691903 ] [ 0.77083 0.173345 0.132339 ] [ 0.22917 0.826655 0.867661 ] [ 0.892837 0.179284 0.058032 ] [ 0.436817 0.454121 0.167487 ] [ 0.978937 0.703444 0.23687 ] [ 0.572135 0.998081 0.268884 ] [ 0.230822 0.265791 0.44455 ] [ 0.769178 0.734209 0.55545 ] [ 0.427865 0.001919 0.731116 ] [ 0.021063 0.296556 0.76313 ] [ 0.563183 0.545879 0.832513 ] [ 0.107163 0.820716 0.941968 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Mo" "Mo" "H" "H" "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" 5.40273942 "source-unit" "angstrom" } "b" { "source-value" 5.68633631 "source-unit" "angstrom" } "c" { "source-value" 7.61052614 "source-unit" "angstrom" } "alpha" { "source-value" 103.42623032 "source-unit" "degree" } "beta" { "source-value" 106.50203287 "source-unit" "degree" } "gamma" { "source-value" 97.32936143 "source-unit" "degree" } }