{ "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" [ [ 0.25 0.706784 0.628387 ] [ 0.75 0.293216 0.371613 ] [ 0.25 0.206784 0.871613 ] [ 0.75 0.793216 0.128387 ] [ 0.75 0.231678 0.636101 ] [ 0.75 0.731678 0.863899 ] [ 0.25 0.768322 0.363899 ] [ 0.25 0.268322 0.136101 ] [ 0.25 0.531245 0.24115 ] [ 0.75 0.468755 0.75885 ] [ 0.25 0.031245 0.25885 ] [ 0.75 0.968755 0.74115 ] [ 0.25 0.762277 0.952073 ] [ 0.75 0.737723 0.452073 ] [ 0.25 0.262277 0.547927 ] [ 0.75 0.237723 0.047927 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Mn" "Mn" "Mn" "Mn" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.16006863 "source-unit" "angstrom" } "b" { "source-value" 7.19485588 "source-unit" "angstrom" } "c" { "source-value" 14.0244035 "source-unit" "angstrom" } }