{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbam" } "basis-atom-coordinates" { "source-value" [ [ 0.741106 0.249972 0.875011 ] [ 0.741106 0.750028 0.875011 ] [ 0.758894 0.750028 0.375011 ] [ 0.758894 0.249972 0.375011 ] [ 0.241106 0.750028 0.624989 ] [ 0.241106 0.249972 0.624989 ] [ 0.258894 0.750028 0.124989 ] [ 0.258894 0.249972 0.124989 ] [ 0.749107 0 0.618851 ] [ 0.725191 0.5 0.631603 ] [ 0.774809 0.5 0.131603 ] [ 0.750893 0 0.118851 ] [ 0.249107 0 0.881149 ] [ 0.225191 0.5 0.868397 ] [ 0.250893 0 0.381149 ] [ 0.274809 0.5 0.368397 ] [ 0 0.200209 0 ] [ 0 0.799791 0 ] [ 0 0.195363 0.5 ] [ 0 0.804637 0.5 ] [ 0.981594 0.30151 0.744419 ] [ 0.981594 0.69849 0.744419 ] [ 0.763513 0 0.331436 ] [ 0.744419 0.5 0.418231 ] [ 0.755581 0.5 0.918231 ] [ 0.736487 0 0.831436 ] [ 0.518406 0.30151 0.244419 ] [ 0.518406 0.69849 0.244419 ] [ 0.5 0.195363 0 ] [ 0.5 0.804637 0 ] [ 0.5 0.200209 0.5 ] [ 0.5 0.799791 0.5 ] [ 0.481594 0.69849 0.755581 ] [ 0.481594 0.30151 0.755581 ] [ 0.244419 0.5 0.081769 ] [ 0.263513 0 0.168564 ] [ 0.255581 0.5 0.581769 ] [ 0.236487 0 0.668564 ] [ 0.018406 0.69849 0.255581 ] [ 0.018406 0.30151 0.255581 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.36763451 "source-unit" "angstrom" } "b" { "source-value" 7.64672575 "source-unit" "angstrom" } "c" { "source-value" 10.81261529 "source-unit" "angstrom" } }