{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I222" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.201822 ] [ 0.5 0 0.298178 ] [ 0.5 0 0.701822 ] [ 0 0.5 0.798178 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.702557 0.306719 0.830607 ] [ 0.297443 0.693281 0.830607 ] [ 0.202557 0.193281 0.669393 ] [ 0.797443 0.806719 0.669393 ] [ 0.202557 0.806719 0.330607 ] [ 0.797443 0.193281 0.330607 ] [ 0.702557 0.693281 0.169393 ] [ 0.297443 0.306719 0.169393 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ag" "Ag" "Ag" "Ag" "Sn" "Sn" "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" 6.90416007167 "source-unit" "angstrom" } "b" { "source-value" 7.22635957046 "source-unit" "angstrom" } "c" { "source-value" 8.33985130885 "source-unit" "angstrom" } }