{ "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 0.378265 0.677586 ] [ 0.75 0.621735 0.322414 ] [ 0.75 0.878265 0.822414 ] [ 0.25 0.121735 0.177586 ] [ 0.25 0.900837 0.529698 ] [ 0.75 0.099163 0.470302 ] [ 0.75 0.400837 0.970302 ] [ 0.25 0.599163 0.029698 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.0543217 "source-unit" "angstrom" } "b" { "source-value" 4.56586206 "source-unit" "angstrom" } "c" { "source-value" 6.11884457 "source-unit" "angstrom" } }