{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.912487 0 0.795828 ] [ 0.087513 0 0.204172 ] [ 0.412487 0.5 0.795828 ] [ 0.587513 0.5 0.204172 ] [ 0.795975 0 0.201974 ] [ 0.204025 0 0.798026 ] [ 0.295975 0.5 0.201974 ] [ 0.704025 0.5 0.798026 ] [ 0.928063 0 0.116668 ] [ 0.861853 0 0.490213 ] [ 0.776128 0.5 0.142057 ] [ 0.85278 0.5 0.795803 ] [ 0.14722 0.5 0.204197 ] [ 0.223872 0.5 0.857943 ] [ 0.138147 0 0.509787 ] [ 0.071937 0 0.883332 ] [ 0.428063 0.5 0.116668 ] [ 0.361853 0.5 0.490213 ] [ 0.276128 0 0.142057 ] [ 0.35278 0 0.795803 ] [ 0.64722 0 0.204197 ] [ 0.723872 0 0.857943 ] [ 0.638147 0.5 0.509787 ] [ 0.571937 0.5 0.883332 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.71439474 "source-unit" "angstrom" } "b" { "source-value" 4.07900121 "source-unit" "angstrom" } "c" { "source-value" 6.64613933 "source-unit" "angstrom" } "beta" { "source-value" 107.04599385 "source-unit" "degree" } }