{ "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" [ [ 0.339869 0.25 0.686402 ] [ 0.660131 0.75 0.313598 ] [ 0.069488 0.25 0.147767 ] [ 0.930512 0.75 0.852233 ] [ 0.826455 0.514141 0.673906 ] [ 0.173545 0.014141 0.326094 ] [ 0.173545 0.485859 0.326094 ] [ 0.826455 0.985859 0.673906 ] [ 0.352959 0.75 0.897939 ] [ 0.647041 0.25 0.102061 ] ] } "species" { "source-value" [ "Ba" "Ba" "Te" "Te" "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" 4.65475303524 "source-unit" "angstrom" } "b" { "source-value" 6.0745664 "source-unit" "angstrom" } "c" { "source-value" 7.25689030699 "source-unit" "angstrom" } "beta" { "source-value" 106.88681495 "source-unit" "degree" } }