{ "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" [ [ 0.911058 0 0.165214 ] [ 0.088942 0 0.834786 ] [ 0.411058 0.5 0.165214 ] [ 0.588942 0.5 0.834786 ] [ 0.246026 0 0.229532 ] [ 0.77611 0 0.61105 ] [ 0 0.5 0 ] [ 0.753974 0 0.770468 ] [ 0.22389 0 0.38895 ] [ 0 0 0.5 ] [ 0.746026 0.5 0.229532 ] [ 0.27611 0.5 0.61105 ] [ 0.5 0 0 ] [ 0.253974 0.5 0.770468 ] [ 0.72389 0.5 0.38895 ] [ 0.5 0.5 0.5 ] [ 0.173335 0.5 0.083114 ] [ 0.683184 0.5 0.607747 ] [ 0.07719 0 0.15159 ] [ 0.316816 0.5 0.392253 ] [ 0.928568 0.5 0.349597 ] [ 0.92281 0 0.84841 ] [ 0.859464 0.5 0.615745 ] [ 0.826665 0.5 0.916886 ] [ 0.140536 0.5 0.384255 ] [ 0.071432 0.5 0.650403 ] [ 0.673335 0 0.083114 ] [ 0.183184 0 0.607747 ] [ 0.57719 0.5 0.15159 ] [ 0.816816 0 0.392253 ] [ 0.428568 0 0.349597 ] [ 0.42281 0.5 0.84841 ] [ 0.359464 0 0.615745 ] [ 0.326665 0 0.916886 ] [ 0.640536 0 0.384255 ] [ 0.571432 0 0.650403 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 19.5329613748 "source-unit" "angstrom" } "b" { "source-value" 3.5409724531 "source-unit" "angstrom" } "c" { "source-value" 16.5111249679 "source-unit" "angstrom" } "beta" { "source-value" 141.471217555 "source-unit" "degree" } }