{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.266934 0.402322 ] [ 0.25 0.233066 0.902322 ] [ 0.25 0.733066 0.597678 ] [ 0.75 0.766934 0.097678 ] [ 0.25 0.278412 0.151342 ] [ 0.75 0.721588 0.848658 ] [ 0.25 0.778412 0.348658 ] [ 0.75 0.221588 0.651342 ] [ 0.25 0.527511 0.250983 ] [ 0.75 0.2746 0.129486 ] [ 0.25 0.7254 0.870514 ] [ 0.75 0.972489 0.750983 ] [ 0.25 0.2254 0.629486 ] [ 0.25 0.027511 0.249017 ] [ 0.75 0.472489 0.749017 ] [ 0.75 0.7746 0.370514 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Mn" "Mn" "Mn" "Mn" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.41793683 "source-unit" "angstrom" } "b" { "source-value" 6.82999583 "source-unit" "angstrom" } "c" { "source-value" 13.23746579 "source-unit" "angstrom" } }