{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.009381 0.961741 0.75 ] [ 0.509381 0.538259 0.25 ] [ 0.490619 0.461741 0.75 ] [ 0.990619 0.038259 0.25 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.712594 0.287975 0.453725 ] [ 0.212594 0.212025 0.546275 ] [ 0.787406 0.787975 0.046275 ] [ 0.287406 0.712025 0.953725 ] [ 0.287406 0.712025 0.546275 ] [ 0.787406 0.787975 0.453725 ] [ 0.212594 0.212025 0.953725 ] [ 0.712594 0.287975 0.046275 ] [ 0.08612 0.478265 0.25 ] [ 0.58612 0.021735 0.75 ] [ 0.41388 0.978265 0.25 ] [ 0.91388 0.521735 0.75 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Fe" "Fe" "Fe" "Fe" "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" 5.60080532 "source-unit" "angstrom" } "b" { "source-value" 5.66192367 "source-unit" "angstrom" } "c" { "source-value" 7.94467088 "source-unit" "angstrom" } }