{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.987238 0.052248 0.25 ] [ 0.487238 0.447752 0.75 ] [ 0.512762 0.552248 0.25 ] [ 0.012762 0.947752 0.75 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.642187 0.074549 0.75 ] [ 0.178181 0.182056 0.574035 ] [ 0.178181 0.182056 0.925965 ] [ 0.678181 0.317944 0.425965 ] [ 0.678181 0.317944 0.074035 ] [ 0.142187 0.425451 0.25 ] [ 0.857813 0.574549 0.75 ] [ 0.321819 0.682056 0.574035 ] [ 0.321819 0.682056 0.925965 ] [ 0.821819 0.817944 0.074035 ] [ 0.821819 0.817944 0.425965 ] [ 0.357813 0.925451 0.25 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Lu" "Lu" "Lu" "Lu" "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" 5.58268792 "source-unit" "angstrom" } "b" { "source-value" 5.84386639 "source-unit" "angstrom" } "c" { "source-value" 8.22650539 "source-unit" "angstrom" } }