{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.569425 0.529514 0.842103 ] [ 0.232732 0.49313 0.49746 ] [ 0.908814 0.490741 0.180133 ] [ 0.767268 0.99313 0.50254 ] [ 0.430575 0.029514 0.157897 ] [ 0.091186 0.990741 0.819867 ] [ 0.721316 0.194231 0.278844 ] [ 0.046355 0.192669 0.601108 ] [ 0.378572 0.194078 0.925704 ] [ 0.210792 0.306315 0.267524 ] [ 0.953645 0.692669 0.398892 ] [ 0.621428 0.694078 0.074296 ] [ 0.278684 0.694231 0.721156 ] [ 0.789208 0.806315 0.732476 ] [ 0.887773 0.292302 0.938772 ] [ 0.544588 0.30702 0.598914 ] [ 0.455412 0.80702 0.401086 ] [ 0.112227 0.792302 0.061228 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.56706865 "source-unit" "angstrom" } "b" { "source-value" 4.59980258 "source-unit" "angstrom" } "c" { "source-value" 7.69462822 "source-unit" "angstrom" } "beta" { "source-value" 93.14246975 "source-unit" "degree" } }