{ "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 0.604365 0.460989 ] [ 0.75 0.395635 0.539011 ] [ 0.25 0.104365 0.039011 ] [ 0.75 0.895635 0.960989 ] [ 0.25 0.209198 0.633267 ] [ 0.75 0.790802 0.366733 ] [ 0.75 0.290802 0.133267 ] [ 0.25 0.709198 0.866733 ] [ 0.75 0.558828 0.817232 ] [ 0.75 0.058828 0.682768 ] [ 0.25 0.441172 0.182768 ] [ 0.25 0.941172 0.317232 ] [ 0.25 0.25218 0.82207 ] [ 0.75 0.74782 0.17793 ] [ 0.25 0.75218 0.67793 ] [ 0.75 0.24782 0.32207 ] [ 0.927802 0.640861 0.432544 ] [ 0.427802 0.359139 0.567456 ] [ 0.572198 0.140861 0.067456 ] [ 0.927802 0.140861 0.067456 ] [ 0.072198 0.359139 0.567456 ] [ 0.572198 0.640861 0.432544 ] [ 0.427802 0.859139 0.932544 ] [ 0.072198 0.859139 0.932544 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Se" "Se" "Se" "Se" "Cl" "Cl" "Cl" "Cl" "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" 6.9892919 "source-unit" "angstrom" } "b" { "source-value" 7.27968357 "source-unit" "angstrom" } "c" { "source-value" 8.85561413 "source-unit" "angstrom" } }