{ "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" [ [ 0.75 0.872363 0.821094 ] [ 0.25 0.127637 0.178906 ] [ 0.75 0.627637 0.321094 ] [ 0.25 0.372363 0.678906 ] [ 0.75 0.54989 0.838323 ] [ 0.25 0.45011 0.161677 ] [ 0.75 0.95011 0.338323 ] [ 0.25 0.04989 0.661677 ] [ 0.75 0.167018 0.953047 ] [ 0.25 0.832982 0.046953 ] [ 0.75 0.332982 0.453047 ] [ 0.25 0.667018 0.546953 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.60158768 "source-unit" "angstrom" } "b" { "source-value" 8.76235745 "source-unit" "angstrom" } "c" { "source-value" 10.08942504 "source-unit" "angstrom" } }