{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.166667 0.333333 0.333333 ] [ 0.166667 0.833333 0.333333 ] [ 0.666667 0.833333 0.333333 ] [ 0.833333 0.666667 0.666667 ] [ 0.833333 0.166667 0.666667 ] [ 0.333333 0.166667 0.666667 ] [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0 0 0.273094 ] [ 0.833669 0.667337 0.931624 ] [ 0.833669 0.166331 0.931624 ] [ 0 0 0.726906 ] [ 0.332663 0.166331 0.931624 ] [ 0.166331 0.332663 0.068376 ] [ 0.166331 0.833669 0.068376 ] [ 0.667337 0.833669 0.068376 ] [ 0.666667 0.333333 0.606427 ] [ 0.500335 0.000671 0.264958 ] [ 0.500335 0.499665 0.264958 ] [ 0.666667 0.333333 0.06024 ] [ 0.999329 0.499665 0.264958 ] [ 0.832998 0.665996 0.401709 ] [ 0.832998 0.167002 0.401709 ] [ 0.334004 0.167002 0.401709 ] [ 0.333333 0.666667 0.93976 ] [ 0.167002 0.334004 0.598291 ] [ 0.167002 0.832998 0.598291 ] [ 0.333333 0.666667 0.393573 ] [ 0.665996 0.832998 0.598291 ] [ 0.499665 0.999329 0.735042 ] [ 0.499665 0.500335 0.735042 ] [ 0.000671 0.500335 0.735042 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.07933661 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }