{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.414638 0.814899 ] [ 0.5 0.585362 0.185101 ] [ 0.5 0.914638 0.685101 ] [ 0.5 0.085362 0.314899 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.264771 0.55236 ] [ 0.5 0.735229 0.44764 ] [ 0.5 0.764771 0.94764 ] [ 0.5 0.235229 0.05236 ] [ 0 0.132287 0.797957 ] [ 0 0.867713 0.202043 ] [ 0 0.632287 0.702043 ] [ 0 0.367713 0.297957 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "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" 3.97592587 "source-unit" "angstrom" } "b" { "source-value" 7.08499186 "source-unit" "angstrom" } "c" { "source-value" 11.51915434 "source-unit" "angstrom" } }