{ "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 0.616892 0.103449 ] [ 0.75 0.373347 0.601031 ] [ 0.25 0.126653 0.101031 ] [ 0.25 0.626653 0.398969 ] [ 0.75 0.383108 0.896551 ] [ 0.75 0.873347 0.898969 ] [ 0.25 0.116892 0.396551 ] [ 0.75 0.883108 0.603449 ] [ 0.75 0.371761 0.251815 ] [ 0.25 0.628239 0.748185 ] [ 0.75 0.871761 0.248185 ] [ 0.25 0.128239 0.751815 ] [ 0.75 0.867907 0.107772 ] [ 0.75 0.375516 0.110687 ] [ 0.25 0.624484 0.889313 ] [ 0.25 0.132093 0.892228 ] [ 0.25 0.124484 0.610687 ] [ 0.75 0.875516 0.389313 ] [ 0.25 0.632093 0.607772 ] [ 0.75 0.367907 0.392228 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Ni" "Ni" "Ni" "Ni" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.85391173 "source-unit" "angstrom" } "b" { "source-value" 7.7106315 "source-unit" "angstrom" } "c" { "source-value" 12.52465657 "source-unit" "angstrom" } }