{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.241085 0.75 0.079014 ] [ 0.754686 0.000346 0.250951 ] [ 0.754686 0.499654 0.250951 ] [ 0.245314 0.500346 0.749049 ] [ 0.245314 0.999654 0.749049 ] [ 0.758915 0.25 0.920986 ] [ 0.221126 0.25 0.334171 ] [ 0.778874 0.75 0.665829 ] [ 0.266184 0.25 0.061719 ] [ 0.733816 0.75 0.938281 ] [ 0.298847 0.75 0.423864 ] [ 0.701153 0.25 0.576136 ] [ 0.710484 0.75 0.084273 ] [ 0.034711 0.25 0.13055 ] [ 0.472542 0.25 0.158654 ] [ 0.214816 0.948684 0.30843 ] [ 0.214816 0.551316 0.30843 ] [ 0.624258 0.75 0.45473 ] [ 0.848612 0.25 0.413963 ] [ 0.151388 0.75 0.586037 ] [ 0.375742 0.25 0.54527 ] [ 0.785184 0.448684 0.69157 ] [ 0.785184 0.051316 0.69157 ] [ 0.527458 0.75 0.841346 ] [ 0.965289 0.75 0.86945 ] [ 0.289516 0.25 0.915727 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Cu" "Cu" "B" "B" "As" "As" "O" "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" 5.28431067 "source-unit" "angstrom" } "b" { "source-value" 6.6059354 "source-unit" "angstrom" } "c" { "source-value" 9.17156649 "source-unit" "angstrom" } "beta" { "source-value" 91.36842289 "source-unit" "degree" } }