{ "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 0.854106 0.745321 ] [ 0.25 0.247859 0.031246 ] [ 0.75 0.252141 0.531246 ] [ 0.75 0.752141 0.968754 ] [ 0.75 0.645894 0.245321 ] [ 0.75 0.145894 0.254679 ] [ 0.25 0.747859 0.468754 ] [ 0.25 0.354106 0.754679 ] [ 0.75 0.388006 0.091759 ] [ 0.25 0.111994 0.591759 ] [ 0.75 0.888006 0.408241 ] [ 0.25 0.611994 0.908241 ] [ 0.25 0.356322 0.352304 ] [ 0.25 0.856322 0.147696 ] [ 0.75 0.643678 0.647696 ] [ 0.75 0.143678 0.852304 ] [ 0.25 0.71323 0.207366 ] [ 0.463049 0.929668 0.117582 ] [ 0.75 0.28677 0.792634 ] [ 0.036951 0.929668 0.117582 ] [ 0.463049 0.429668 0.382418 ] [ 0.036951 0.429668 0.382418 ] [ 0.25 0.21323 0.292634 ] [ 0.75 0.78677 0.707366 ] [ 0.963049 0.570332 0.617582 ] [ 0.536951 0.070332 0.882418 ] [ 0.536951 0.570332 0.617582 ] [ 0.963049 0.070332 0.882418 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Br" "Br" "Br" "Br" "N" "N" "N" "N" "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" 5.15686005 "source-unit" "angstrom" } "b" { "source-value" 6.90573147 "source-unit" "angstrom" } "c" { "source-value" 13.26076123 "source-unit" "angstrom" } }