{ "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" [ [ 0.199977 0 0.241102 ] [ 0.100015 0.5 0.650252 ] [ 0.800023 0 0.758898 ] [ 0.899985 0.5 0.349748 ] [ 0 0 0 ] [ 0.699977 0.5 0.241102 ] [ 0.600015 0 0.650252 ] [ 0.300023 0.5 0.758898 ] [ 0.399985 0 0.349748 ] [ 0.5 0.5 0 ] [ 0.19981 0.5 0.241613 ] [ 0.100088 0 0.651121 ] [ 0.899912 0 0.348879 ] [ 0.80019 0.5 0.758387 ] [ 0 0.5 0 ] [ 0.69981 0 0.241613 ] [ 0.600088 0.5 0.651121 ] [ 0.399912 0.5 0.348879 ] [ 0.30019 0 0.758387 ] [ 0.5 0 0 ] [ 0.199948 0.750198 0.745172 ] [ 0.900002 0.250142 0.845587 ] [ 0 0.249855 0.5 ] [ 0.199948 0.249802 0.745172 ] [ 0.900002 0.749858 0.845587 ] [ 0.800052 0.249802 0.254828 ] [ 0.099998 0.749858 0.154413 ] [ 0.800052 0.750198 0.254828 ] [ 0.099998 0.250142 0.154413 ] [ 0 0.750145 0.5 ] [ 0.699948 0.250198 0.745172 ] [ 0.400002 0.750142 0.845587 ] [ 0.5 0.749855 0.5 ] [ 0.699948 0.749802 0.745172 ] [ 0.400002 0.249858 0.845587 ] [ 0.300052 0.749802 0.254828 ] [ 0.599998 0.249858 0.154413 ] [ 0.300052 0.250198 0.254828 ] [ 0.599998 0.750142 0.154413 ] [ 0.5 0.250145 0.5 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 21.0414480261 "source-unit" "angstrom" } "b" { "source-value" 5.52558371 "source-unit" "angstrom" } "c" { "source-value" 4.15039823466 "source-unit" "angstrom" } "beta" { "source-value" 101.311560025 "source-unit" "degree" } }