{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.181644 ] [ 0 0 0.5 ] [ 0 0 0.818356 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.318356 ] [ 0.5 0.5 0.681644 ] [ 0.195511 0.804489 0.33545 ] [ 0.195511 0.804489 0.66455 ] [ 0.304489 0.304489 0.16455 ] [ 0.304489 0.304489 0.83545 ] [ 0.695511 0.695511 0.16455 ] [ 0.695511 0.695511 0.83545 ] [ 0.804489 0.195511 0.33545 ] [ 0.804489 0.195511 0.66455 ] [ 0.183045 0.816955 0 ] [ 0.316955 0.316955 0.5 ] [ 0.683045 0.683045 0.5 ] [ 0.816955 0.183045 0 ] ] } "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" 4.64661119 "source-unit" "angstrom" } "c" { "source-value" 9.1937672 "source-unit" "angstrom" } }