{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0.5 0 0 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.753118 0 ] [ 0.759118 0 0.5 ] [ 0.240882 0 0.5 ] [ 0 0.246882 0 ] [ 0.5 0.253118 0 ] [ 0.259118 0.5 0.5 ] [ 0.740882 0.5 0.5 ] [ 0.5 0.746882 0 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Ni" "Ni" "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" 6.2607401 "source-unit" "angstrom" } "b" { "source-value" 8.8698526 "source-unit" "angstrom" } "c" { "source-value" 3.14062447 "source-unit" "angstrom" } }