{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.23206 0.25 ] [ 0 0.76794 0.75 ] [ 0.5 0.305135 0.75 ] [ 0.5 0.694865 0.25 ] [ 0.267222 0.434677 0.996453 ] [ 0.732778 0.434677 0.503547 ] [ 0.732778 0.565323 0.003547 ] [ 0.267222 0.565323 0.496453 ] [ 0.751821 0.916032 0.402294 ] [ 0.248179 0.916032 0.097706 ] [ 0.248179 0.083968 0.597706 ] [ 0.751821 0.083968 0.902294 ] ] } "species" { "source-value" [ "Er" "Er" "Ta" "Ta" "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" 5.12289118805 "source-unit" "angstrom" } "b" { "source-value" 5.49017982 "source-unit" "angstrom" } "c" { "source-value" 5.30982069797 "source-unit" "angstrom" } "beta" { "source-value" 96.370156531 "source-unit" "degree" } }