{ "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 0.5044 0.304067 ] [ 0.75 0.4956 0.695933 ] [ 0.25 0.0044 0.195933 ] [ 0.75 0.9956 0.804067 ] [ 0.25 0.686728 0.930671 ] [ 0.75 0.313272 0.069329 ] [ 0.25 0.186728 0.569329 ] [ 0.75 0.813272 0.430671 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.15394105 "source-unit" "angstrom" } "b" { "source-value" 5.19100991 "source-unit" "angstrom" } "c" { "source-value" 5.84953159 "source-unit" "angstrom" } }