{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.479159 0.25 0.439905 ] [ 0.520841 0.75 0.560095 ] [ 0.993547 0.25 0.961065 ] [ 0.006453 0.75 0.038935 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.698029 0.549233 0.297661 ] [ 0.819403 0.9485 0.779348 ] [ 0.301971 0.049233 0.702339 ] [ 0.180597 0.4485 0.220652 ] [ 0.819403 0.5515 0.779348 ] [ 0.180597 0.0515 0.220652 ] [ 0.10519 0.75 0.45905 ] [ 0.698029 0.950767 0.297661 ] [ 0.584401 0.25 0.03716 ] [ 0.301971 0.450767 0.702339 ] [ 0.89481 0.25 0.54095 ] [ 0.415599 0.75 0.96284 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Mn" "Mn" "Sb" "Sb" "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" 5.59122085714 "source-unit" "angstrom" } "b" { "source-value" 7.71818754 "source-unit" "angstrom" } "c" { "source-value" 5.68313178997 "source-unit" "angstrom" } "beta" { "source-value" 93.7004096185 "source-unit" "degree" } }