{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.724858 0 ] [ 0 0.275142 0 ] [ 0.5 0.224858 0 ] [ 0.5 0.775142 0 ] [ 0.771472 0 0 ] [ 0.228528 0 0 ] [ 0 0 0.5 ] [ 0.271472 0.5 0 ] [ 0.728528 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.387617 0 0.5 ] [ 0.612383 0 0.5 ] [ 0.234415 0.150202 0.5 ] [ 0.765585 0.849798 0.5 ] [ 0.234415 0.849798 0.5 ] [ 0.765585 0.150202 0.5 ] [ 0.887617 0.5 0.5 ] [ 0.112383 0.5 0.5 ] [ 0.734415 0.650202 0.5 ] [ 0.265585 0.349798 0.5 ] [ 0.734415 0.349798 0.5 ] [ 0.265585 0.650202 0.5 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.68106628768 "source-unit" "angstrom" } "b" { "source-value" 8.60584351505 "source-unit" "angstrom" } "c" { "source-value" 3.45771405 "source-unit" "angstrom" } }