{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.76164 0.514888 0.221051 ] [ 0.23836 0.014888 0.778949 ] [ 0.220547 0.240597 0.340171 ] [ 0.779453 0.740597 0.659829 ] [ 0.275801 0.257713 0.078243 ] [ 0.724199 0.757713 0.921757 ] [ 0.276729 0.745287 0.42817 ] [ 0.723271 0.245287 0.57183 ] [ 0.693236 0.756839 0.055342 ] [ 0.053378 0.255078 0.142143 ] [ 0.463032 0.258777 0.182765 ] [ 0.217239 0.925764 0.332807 ] [ 0.197294 0.560255 0.339374 ] [ 0.861191 0.254536 0.432644 ] [ 0.554533 0.732416 0.464418 ] [ 0.445467 0.232416 0.535582 ] [ 0.138809 0.754536 0.567356 ] [ 0.802706 0.060255 0.660626 ] [ 0.782761 0.425764 0.667193 ] [ 0.536968 0.758777 0.817235 ] [ 0.946622 0.755078 0.857857 ] [ 0.306764 0.256839 0.944658 ] ] } "species" { "source-value" [ "Na" "Na" "Cr" "Cr" "C" "C" "S" "S" "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" 5.29649762 "source-unit" "angstrom" } "b" { "source-value" 6.43428235 "source-unit" "angstrom" } "c" { "source-value" 9.06159946 "source-unit" "angstrom" } "beta" { "source-value" 92.3463092 "source-unit" "degree" } }