{ "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" [ [ 0.711063 0.338829 0.250874 ] [ 0.288937 0.661171 0.749126 ] [ 0 0 0 ] [ 0.873259 0.857189 0.613526 ] [ 0.126741 0.142811 0.386474 ] [ 0.150247 0.07837 0.702568 ] [ 0.849753 0.92163 0.297432 ] [ 0.662258 0.332649 0.759597 ] [ 0.337742 0.667351 0.240403 ] [ 0.663748 0.095303 0.872046 ] [ 0.336252 0.904697 0.127954 ] [ 0.756558 0.60752 0.939791 ] [ 0.243442 0.39248 0.060209 ] [ 0.832851 0.351594 0.620716 ] [ 0.167149 0.648406 0.379284 ] [ 0.356657 0.276468 0.623516 ] [ 0.643343 0.723532 0.376484 ] [ 0.038691 0.929324 0.73017 ] [ 0.961309 0.070676 0.26983 ] ] } "species" { "source-value" [ "Na" "Na" "Zn" "H" "H" "H" "H" "Se" "Se" "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" 5.99225804492 "source-unit" "angstrom" } "b" { "source-value" 7.3492998574 "source-unit" "angstrom" } "c" { "source-value" 5.69296063901 "source-unit" "angstrom" } "alpha" { "source-value" 99.0806105773 "source-unit" "degree" } "beta" { "source-value" 107.613692793 "source-unit" "degree" } "gamma" { "source-value" 108.461253011 "source-unit" "degree" } }