{ "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" [ [ 0.533936 0.606435 0.226204 ] [ 0.026086 0.263819 0.351955 ] [ 0.024679 0.101994 0.740796 ] [ 0.975321 0.898006 0.259204 ] [ 0.532076 0.214831 0.173827 ] [ 0.466064 0.393565 0.773796 ] [ 0.973914 0.736181 0.648045 ] [ 0.467924 0.785169 0.826173 ] [ 0.324551 0.909103 0.441938 ] [ 0.298069 0.371432 0.528632 ] [ 0.701931 0.628568 0.471368 ] [ 0.167888 0.591145 0.080832 ] [ 0.675449 0.090897 0.558062 ] [ 0.832112 0.408855 0.919168 ] [ 0.794201 0.847847 0.011456 ] [ 0.205799 0.152153 0.988544 ] [ 0.287423 0.592256 0.912493 ] [ 0.456328 0.230113 0.620856 ] [ 0.149854 0.862226 0.423867 ] [ 0.916374 0.876534 0.845075 ] [ 0.079916 0.324206 0.900717 ] [ 0.802426 0.582199 0.836805 ] [ 0.335075 0.074361 0.347511 ] [ 0.850146 0.137774 0.576133 ] [ 0.920084 0.675794 0.099283 ] [ 0.757221 0.475021 0.402234 ] [ 0.771117 0.986152 0.092274 ] [ 0.228883 0.013848 0.907726 ] [ 0.890379 0.683919 0.446321 ] [ 0.197574 0.417801 0.163195 ] [ 0.245232 0.690008 0.148867 ] [ 0.712577 0.407744 0.087507 ] [ 0.588679 0.825164 0.026385 ] [ 0.590825 0.602644 0.640017 ] [ 0.754768 0.309992 0.851133 ] [ 0.664925 0.925639 0.652489 ] [ 0.715855 0.0839 0.390788 ] [ 0.543672 0.769887 0.379144 ] [ 0.409175 0.397356 0.359983 ] [ 0.411321 0.174836 0.973615 ] [ 0.109621 0.316081 0.553679 ] [ 0.284145 0.9161 0.609212 ] [ 0.083626 0.123466 0.154924 ] [ 0.242779 0.524979 0.597766 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.77206039 "source-unit" "angstrom" } "b" { "source-value" 9.49204487 "source-unit" "angstrom" } "c" { "source-value" 10.15017174 "source-unit" "angstrom" } "alpha" { "source-value" 75.73951679 "source-unit" "degree" } "beta" { "source-value" 70.06605141 "source-unit" "degree" } "gamma" { "source-value" 70.35793772 "source-unit" "degree" } }