{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mbc" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.25 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0.83089 0.819136 0 ] [ 0.819136 0.16911 0.5 ] [ 0.180864 0.83089 0.5 ] [ 0.16911 0.180864 0 ] [ 0.33089 0.680864 0 ] [ 0.66911 0.319136 0 ] [ 0.680864 0.66911 0.5 ] [ 0.319136 0.33089 0.5 ] [ 0.400256 0.859149 0.5 ] [ 0.599744 0.140851 0.5 ] [ 0.140851 0.400256 0 ] [ 0.859149 0.599744 0 ] [ 0.359149 0.900256 0 ] [ 0.900256 0.640851 0.5 ] [ 0.099744 0.359149 0.5 ] [ 0.640851 0.099744 0 ] [ 0.180581 0.680581 0.75 ] [ 0.680581 0.819419 0.25 ] [ 0.319419 0.180581 0.25 ] [ 0.819419 0.319419 0.75 ] [ 0.180581 0.680581 0.25 ] [ 0.680581 0.819419 0.75 ] [ 0.319419 0.180581 0.75 ] [ 0.819419 0.319419 0.25 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "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" 8.86296436 "source-unit" "angstrom" } "c" { "source-value" 6.17494865 "source-unit" "angstrom" } }