{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.751184 0.645782 ] [ 0.75 0.248816 0.354218 ] [ 0.75 0.748816 0.145782 ] [ 0.25 0.251184 0.854218 ] [ 0.25 0.429174 0.115829 ] [ 0.75 0.570826 0.884171 ] [ 0.75 0.070826 0.615829 ] [ 0.25 0.929174 0.384171 ] [ 0.25 0.410952 0.610188 ] [ 0.75 0.589048 0.389812 ] [ 0.75 0.089048 0.110188 ] [ 0.25 0.910952 0.889812 ] [ 0.25 0.218659 0.186936 ] [ 0.75 0.781341 0.813064 ] [ 0.75 0.281341 0.686936 ] [ 0.25 0.718659 0.313064 ] [ 0.25 0.137183 0.484051 ] [ 0.75 0.862817 0.515949 ] [ 0.75 0.362817 0.984051 ] [ 0.25 0.637183 0.015949 ] [ 0.25 0.496026 0.787049 ] [ 0.75 0.503974 0.212951 ] [ 0.75 0.003974 0.287049 ] [ 0.25 0.996026 0.712951 ] [ 0.25 0.429685 0.417268 ] [ 0.75 0.570315 0.582732 ] [ 0.75 0.070315 0.917268 ] [ 0.25 0.929685 0.082732 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "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" 3.61780591 "source-unit" "angstrom" } "b" { "source-value" 10.4142383 "source-unit" "angstrom" } "c" { "source-value" 12.4661656 "source-unit" "angstrom" } }