{ "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" [ [ 0.75 0.751489 0.170123 ] [ 0.25 0.248511 0.829877 ] [ 0.75 0.251489 0.329877 ] [ 0.25 0.748511 0.670123 ] [ 0.75 0.772115 0.942623 ] [ 0.25 0.727885 0.442623 ] [ 0.75 0.272115 0.557377 ] [ 0.25 0.227885 0.057377 ] [ 0.25 0.37569 0.675795 ] [ 0.75 0.373257 0.903673 ] [ 0.75 0.62431 0.324205 ] [ 0.25 0.87569 0.824205 ] [ 0.75 0.873257 0.596327 ] [ 0.25 0.626743 0.096327 ] [ 0.25 0.126743 0.403673 ] [ 0.75 0.12431 0.175795 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Sb" "Sb" "Sb" "Sb" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.03449095 "source-unit" "angstrom" } "b" { "source-value" 6.45669076 "source-unit" "angstrom" } "c" { "source-value" 14.92857599 "source-unit" "angstrom" } }