{ "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" [ [ 0.357544 0.360936 0.199025 ] [ 0.642456 0.639064 0.800975 ] [ 0.797556 0.121724 0.076934 ] [ 0.202444 0.878276 0.923066 ] [ 0.526788 0.113838 0.685784 ] [ 0.107294 0.33112 0.831325 ] [ 0.473212 0.886162 0.314216 ] [ 0.892706 0.66888 0.168675 ] [ 0.159599 0.255434 0.499178 ] [ 0.840401 0.744566 0.500822 ] [ 0.924286 0.305203 0.410048 ] [ 0.075714 0.694797 0.589952 ] [ 0.097185 0.162885 0.951836 ] [ 0.233669 0.583425 0.913181 ] [ 0.691644 0.7354 0.301668 ] [ 0.098346 0.280942 0.398038 ] [ 0.901654 0.719058 0.601962 ] [ 0.182876 0.710561 0.269809 ] [ 0.766331 0.416575 0.086819 ] [ 0.5195 0.05832 0.204446 ] [ 0.817124 0.289439 0.730191 ] [ 0.5 0 0.5 ] [ 0.4805 0.94168 0.795554 ] [ 0.308356 0.2646 0.698332 ] [ 0.902815 0.837115 0.048164 ] ] } "species" { "source-value" [ "Na" "Na" "Cu" "Cu" "Si" "Si" "Si" "Si" "H" "H" "H" "H" "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" 5.26828338593 "source-unit" "angstrom" } "b" { "source-value" 6.45736332471 "source-unit" "angstrom" } "c" { "source-value" 8.79276685979 "source-unit" "angstrom" } "alpha" { "source-value" 101.870975504 "source-unit" "degree" } "beta" { "source-value" 93.6168819456 "source-unit" "degree" } "gamma" { "source-value" 103.101761723 "source-unit" "degree" } }