{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.032112 0 0.281221 ] [ 0.94891 0.5 0.722509 ] [ 0.605157 0.5 0.202984 ] [ 0.411124 0 0.784279 ] [ 0.911434 0 0.612605 ] [ 0.596142 0 0.091114 ] [ 0.422007 0.5 0.898286 ] [ 0.066545 0.5 0.406173 ] [ 0.855326 0 0.449399 ] [ 0.77212 0.204949 0.66936 ] [ 0.77212 0.795051 0.66936 ] [ 0.76567 0.5 0.378136 ] [ 0.724999 0.5 0.881513 ] [ 0.755226 0.192209 0.167546 ] [ 0.755226 0.807791 0.167546 ] [ 0.638504 0 0.941703 ] [ 0.370057 0.5 0.052506 ] [ 0.267221 0.697461 0.828415 ] [ 0.267221 0.302539 0.828415 ] [ 0.303531 0 0.133262 ] [ 0.217614 0 0.618705 ] [ 0.195115 0.708308 0.330946 ] [ 0.195115 0.291692 0.330946 ] [ 0.151501 0.5 0.553073 ] ] } "species" { "source-value" [ "Nb" "Cu" "Cu" "Cu" "P" "P" "P" "P" "O" "O" "O" "O" "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" 5.00566503 "source-unit" "angstrom" } "b" { "source-value" 6.04011295 "source-unit" "angstrom" } "c" { "source-value" 9.89929248 "source-unit" "angstrom" } "beta" { "source-value" 91.24049314 "source-unit" "degree" } }