{ "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" [ [ 0.923511 0 0.198106 ] [ 0.076489 0 0.801894 ] [ 0.423511 0.5 0.198106 ] [ 0.576489 0.5 0.801894 ] [ 0.797064 0.748114 0.722043 ] [ 0.202936 0.251886 0.277957 ] [ 0 0.5 0.5 ] [ 0.797064 0.251886 0.722043 ] [ 0.202936 0.748114 0.277957 ] [ 0.297064 0.248114 0.722043 ] [ 0.702936 0.751886 0.277957 ] [ 0.5 0 0.5 ] [ 0.297064 0.751886 0.722043 ] [ 0.702936 0.248114 0.277957 ] [ 0.041025 0.5 0.941791 ] [ 0.958975 0.5 0.058209 ] [ 0.118598 0.5 0.396756 ] [ 0.881402 0.5 0.603244 ] [ 0.541025 0 0.941791 ] [ 0.458975 0 0.058209 ] [ 0.618598 0 0.396756 ] [ 0.381402 0 0.603244 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.1587979606 "source-unit" "angstrom" } "b" { "source-value" 5.09494685299 "source-unit" "angstrom" } "c" { "source-value" 8.02293596699 "source-unit" "angstrom" } "beta" { "source-value" 142.969665991 "source-unit" "degree" } }