{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.997826 0.715069 0.989523 ] [ 0.992778 0.002134 0.719549 ] [ 0.721596 0.997978 0.009079 ] [ 0.277344 0.27765 0.277273 ] [ 0.242912 0.48485 0.742751 ] [ 0.757381 0.516027 0.256984 ] [ 0.507319 0.246748 0.756107 ] [ 0.259252 0.754176 0.507739 ] [ 0.736321 0.24377 0.488669 ] [ 0.491364 0.754794 0.244654 ] [ 0.011687 0.972134 0.345045 ] [ 0.338085 0.000927 0.964443 ] [ 0.966253 0.340073 0.001587 ] [ 0.624943 0.659367 0.658039 ] [ 0.998772 0.231677 0.006498 ] [ 0.697594 0.998998 0.422359 ] [ 0.552814 0.584576 0.285195 ] [ 0.967503 0.41266 0.698597 ] [ 0.441357 0.724253 0.011859 ] [ 0.719096 0.276577 0.287889 ] [ 0.225257 0.00055 0.991471 ] [ 0.748267 0.455844 0.004887 ] [ 0.000929 0.992146 0.22666 ] [ 0.266258 0.255524 0.72234 ] [ 0.00951 0.749978 0.461284 ] [ 0.468686 0.998842 0.749687 ] [ 0.289914 0.543575 0.548112 ] [ 0.553427 0.265831 0.537657 ] [ 0.28644 0.733928 0.270864 ] [ 0.765315 0.767443 0.771298 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ga" "Ga" "Ga" "Ga" "Si" "Si" "H" "H" "H" "H" "O" "O" "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" 7.80153343 "source-unit" "angstrom" } "b" { "source-value" 7.81999697 "source-unit" "angstrom" } "c" { "source-value" 7.82486177 "source-unit" "angstrom" } "alpha" { "source-value" 109.43311701 "source-unit" "degree" } "beta" { "source-value" 109.01520164 "source-unit" "degree" } "gamma" { "source-value" 109.66204797 "source-unit" "degree" } }