{ "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" [ [ 0.220477 0.5 0.6549 ] [ 0.779523 0.5 0.3451 ] [ 0 0.258721 0 ] [ 0 0.741279 0 ] [ 0 0 0.5 ] [ 0.720477 0 0.6549 ] [ 0.279523 0 0.3451 ] [ 0.5 0.758721 0 ] [ 0.5 0.241279 0 ] [ 0.5 0.5 0.5 ] [ 0.105506 0.5 0.929979 ] [ 0.894494 0.5 0.070021 ] [ 0.103249 0 0.909245 ] [ 0.896751 0 0.090755 ] [ 0.888144 0.225994 0.604758 ] [ 0.888144 0.774006 0.604758 ] [ 0.111856 0.774006 0.395242 ] [ 0.111856 0.225994 0.395242 ] [ 0.605506 0 0.929979 ] [ 0.394494 0 0.070021 ] [ 0.603249 0.5 0.909245 ] [ 0.396751 0.5 0.090755 ] [ 0.388144 0.725994 0.604758 ] [ 0.388144 0.274006 0.604758 ] [ 0.611856 0.274006 0.395242 ] [ 0.611856 0.725994 0.395242 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "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" 10.483772195 "source-unit" "angstrom" } "b" { "source-value" 5.86199649615 "source-unit" "angstrom" } "c" { "source-value" 4.97754091944 "source-unit" "angstrom" } "beta" { "source-value" 109.290487478 "source-unit" "degree" } }