{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0 0.797255 ] [ 0.5 0 0.202745 ] [ 0 0.5 0.297255 ] [ 0 0.5 0.702745 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.758485 0.145046 ] [ 0 0.241515 0.854954 ] [ 0 0.758485 0.854954 ] [ 0 0.241515 0.145046 ] [ 0 0.5 0.5 ] [ 0.5 0.258485 0.645046 ] [ 0.5 0.741515 0.354954 ] [ 0.5 0.258485 0.354954 ] [ 0.5 0.741515 0.645046 ] ] } "species" { "source-value" [ "Ba" "Ba" "Nd" "Nd" "Nd" "Nd" "Ni" "Ni" "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" 3.86405797384 "source-unit" "angstrom" } "b" { "source-value" 5.98710180199 "source-unit" "angstrom" } "c" { "source-value" 11.8107311047 "source-unit" "angstrom" } }