{ "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" [ [ 0.06857 0.62783 0.15004 ] [ 0.93143 0.62783 0.34996 ] [ 0.93143 0.37217 0.84996 ] [ 0.06857 0.37217 0.65004 ] [ 0.151008 0.119701 0.797902 ] [ 0.151008 0.880299 0.297902 ] [ 0.848992 0.880299 0.202098 ] [ 0.848992 0.119701 0.702098 ] [ 0.347693 0.767648 0.078411 ] [ 0.652307 0.767648 0.421589 ] [ 0.652307 0.232352 0.921589 ] [ 0.347693 0.232352 0.578411 ] [ 0.235244 0.434038 0.303658 ] [ 0.764756 0.434038 0.196342 ] [ 0.764756 0.565962 0.696342 ] [ 0.235244 0.565962 0.803658 ] [ 0.143736 0.324844 0.038412 ] [ 0.143736 0.675156 0.538412 ] [ 0.856264 0.675156 0.961588 ] [ 0.856264 0.324844 0.461588 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Se" "Se" "Se" "Se" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.1484263951 "source-unit" "angstrom" } "b" { "source-value" 7.50285569 "source-unit" "angstrom" } "c" { "source-value" 12.8108978204 "source-unit" "angstrom" } "beta" { "source-value" 98.1663358982 "source-unit" "degree" } }