{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.518603 0.926294 0.748271 ] [ 0.981397 0.426294 0.751729 ] [ 0.018603 0.573706 0.248271 ] [ 0.481397 0.073706 0.251729 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.820533 0.71123 0.553083 ] [ 0.679467 0.21123 0.946917 ] [ 0.179467 0.28877 0.446917 ] [ 0.320533 0.78877 0.053083 ] [ 0.901209 0.970376 0.25417 ] [ 0.598791 0.470376 0.24583 ] [ 0.799832 0.687479 0.951535 ] [ 0.700168 0.187479 0.548465 ] [ 0.200168 0.312521 0.048465 ] [ 0.299832 0.812521 0.451535 ] [ 0.401209 0.529624 0.75417 ] [ 0.098791 0.029624 0.74583 ] ] } "species" { "source-value" [ "Li" "Li" "Nd" "Nd" "Nd" "Nd" "Ir" "Ir" "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" 5.45152131487 "source-unit" "angstrom" } "b" { "source-value" 5.84090683 "source-unit" "angstrom" } "c" { "source-value" 7.78462763764 "source-unit" "angstrom" } "beta" { "source-value" 90.5631623848 "source-unit" "degree" } }