{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.209964 0.75 ] [ 0 0.790036 0.25 ] [ 0.502962 0.154537 0.86541 ] [ 0.497038 0.154537 0.63459 ] [ 0.502962 0.845463 0.36541 ] [ 0.497038 0.845463 0.13459 ] [ 0.767558 0.673238 0.561202 ] [ 0.767558 0.326762 0.061202 ] [ 0.232442 0.673238 0.938798 ] [ 0.232442 0.326762 0.438798 ] [ 0.806005 0.8107 0.96587 ] [ 0.806005 0.1893 0.46587 ] [ 0.5 0.646989 0.75 ] [ 0.5 0.353011 0.25 ] [ 0.193995 0.8107 0.53413 ] [ 0.193995 0.1893 0.03413 ] [ 0.945668 0.685334 0.903956 ] [ 0.945668 0.314666 0.403956 ] [ 0.758702 0.066301 0.95018 ] [ 0.758702 0.933699 0.45018 ] [ 0.708016 0.314466 0.548832 ] [ 0.708016 0.685534 0.048832 ] [ 0.584418 0.797493 0.66818 ] [ 0.584418 0.202507 0.16818 ] [ 0.5 0.389364 0.75 ] [ 0.5 0.610636 0.25 ] [ 0.415582 0.797493 0.83182 ] [ 0.415582 0.202507 0.33182 ] [ 0.291984 0.314466 0.951168 ] [ 0.291984 0.685534 0.451168 ] [ 0.241298 0.066301 0.54982 ] [ 0.241298 0.933699 0.04982 ] [ 0.054332 0.685334 0.596044 ] [ 0.054332 0.314666 0.096044 ] ] } "species" { "source-value" [ "Rb" "Rb" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.60934282 "source-unit" "angstrom" } "b" { "source-value" 5.21608509 "source-unit" "angstrom" } "c" { "source-value" 12.57364929 "source-unit" "angstrom" } "beta" { "source-value" 90.01066433 "source-unit" "degree" } }