{ "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 0.75352 0.25994 ] [ 0.75 0.24648 0.74006 ] [ 0.75 0.74648 0.75994 ] [ 0.25 0.25352 0.24006 ] [ 0.25 0.029166 0.960961 ] [ 0.75 0.970834 0.039039 ] [ 0.75 0.470834 0.460961 ] [ 0.25 0.529166 0.539039 ] [ 0.640081 0.393093 0.007365 ] [ 0.140081 0.606907 0.992635 ] [ 0.359919 0.106907 0.507365 ] [ 0.859919 0.893093 0.492635 ] [ 0.359919 0.606907 0.992635 ] [ 0.859919 0.393093 0.007365 ] [ 0.640081 0.893093 0.492635 ] [ 0.140081 0.106907 0.507365 ] [ 0.25 0.493878 0.682001 ] [ 0.75 0.506122 0.317999 ] [ 0.75 0.006122 0.182001 ] [ 0.25 0.993878 0.817999 ] [ 0.25 0.185903 0.95133 ] [ 0.75 0.814097 0.04867 ] [ 0.75 0.314097 0.45133 ] [ 0.25 0.685903 0.54867 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "B" "B" "B" "B" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.4118653 "source-unit" "angstrom" } "b" { "source-value" 8.16051625 "source-unit" "angstrom" } "c" { "source-value" 8.81751252 "source-unit" "angstrom" } }