{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.456586 0.215586 0.248132 ] [ 0.543414 0.784414 0.748132 ] [ 0.043414 0.715586 0.248132 ] [ 0.956586 0.284414 0.748132 ] [ 0.193259 0.320543 0.353255 ] [ 0.806741 0.679457 0.853255 ] [ 0.306741 0.820543 0.353255 ] [ 0.693259 0.179457 0.853255 ] [ 0.090089 0.06463 0.691005 ] [ 0.909911 0.93537 0.191005 ] [ 0.409911 0.56463 0.691005 ] [ 0.590089 0.43537 0.191005 ] [ 0.123284 0.306079 0.952808 ] [ 0.876716 0.693921 0.452808 ] [ 0.376716 0.806079 0.952808 ] [ 0.623284 0.193921 0.452808 ] ] } "species" { "source-value" [ "As" "As" "As" "As" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.37991364 "source-unit" "angstrom" } "b" { "source-value" 7.11794183 "source-unit" "angstrom" } "c" { "source-value" 7.4692646 "source-unit" "angstrom" } }