{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.221133 0.496098 ] [ 0.75 0.778867 0.503902 ] [ 0.75 0.721133 0.003902 ] [ 0.25 0.278867 0.996098 ] [ 0.25 0.249471 0.816434 ] [ 0.75 0.750529 0.183566 ] [ 0.75 0.749471 0.683566 ] [ 0.25 0.250529 0.316434 ] [ 0.25 0.547539 0.61843 ] [ 0.75 0.452461 0.38157 ] [ 0.75 0.047539 0.88157 ] [ 0.25 0.952461 0.11843 ] [ 0.25 0.07159 0.207211 ] [ 0.75 0.92841 0.792789 ] [ 0.75 0.57159 0.292789 ] [ 0.25 0.42841 0.707211 ] [ 0.75 0.397024 0.122634 ] [ 0.25 0.602976 0.877366 ] [ 0.25 0.897024 0.377366 ] [ 0.75 0.102976 0.622634 ] [ 0.75 0.204836 0.719961 ] [ 0.25 0.795164 0.280039 ] [ 0.25 0.704836 0.780039 ] [ 0.75 0.295164 0.219961 ] [ 0.25 0.909456 0.5931 ] [ 0.75 0.090544 0.4069 ] [ 0.75 0.409456 0.9069 ] [ 0.25 0.590544 0.0931 ] [ 0.75 0.412772 0.57198 ] [ 0.25 0.587228 0.42802 ] [ 0.25 0.912772 0.92802 ] [ 0.75 0.087228 0.07198 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.35379167 "source-unit" "angstrom" } "b" { "source-value" 7.3577926 "source-unit" "angstrom" } "c" { "source-value" 27.2665908 "source-unit" "angstrom" } }