{ "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 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0.823925 0.192464 0.5 ] [ 0.807536 0.823925 0 ] [ 0.692464 0.323925 0 ] [ 0.676075 0.692464 0.5 ] [ 0.323925 0.307536 0.5 ] [ 0.307536 0.676075 0 ] [ 0.192464 0.176075 0 ] [ 0.176075 0.807536 0.5 ] [ 0.891209 0.358876 0 ] [ 0.858876 0.391209 0.5 ] [ 0.814635 0.685365 0.75 ] [ 0.814635 0.685365 0.25 ] [ 0.685365 0.185365 0.75 ] [ 0.685365 0.185365 0.25 ] [ 0.641124 0.891209 0.5 ] [ 0.608791 0.858876 0 ] [ 0.391209 0.141124 0 ] [ 0.358876 0.108791 0.5 ] [ 0.314635 0.814635 0.75 ] [ 0.314635 0.814635 0.25 ] [ 0.185365 0.314635 0.75 ] [ 0.185365 0.314635 0.25 ] [ 0.141124 0.608791 0.5 ] [ 0.108791 0.641124 0 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "As" "As" "As" "As" "As" "As" "As" "As" "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" 8.72193522 "source-unit" "angstrom" } "c" { "source-value" 5.90052841 "source-unit" "angstrom" } }