{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.119323 0.5 0.322439 ] [ 0.880677 0.5 0.677561 ] [ 0.619323 0 0.322439 ] [ 0.380677 0 0.677561 ] [ 0.80528 0.5 0.133303 ] [ 0 0 0 ] [ 0.19472 0.5 0.866697 ] [ 0.30528 0 0.133303 ] [ 0.5 0.5 0 ] [ 0.69472 0 0.866697 ] [ 0.093682 0 0.639322 ] [ 0.906318 0 0.360678 ] [ 0.593682 0.5 0.639322 ] [ 0.406318 0.5 0.360678 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Al" "Al" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.0961678121 "source-unit" "angstrom" } "b" { "source-value" 4.02423015 "source-unit" "angstrom" } "c" { "source-value" 6.587501333 "source-unit" "angstrom" } "beta" { "source-value" 100.681723852 "source-unit" "degree" } }