{ "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 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.303315 0 0 ] [ 0.696685 0 0 ] [ 0.803315 0.5 0 ] [ 0.196685 0.5 0 ] [ 0 0.186764 0.5 ] [ 0 0.813236 0.5 ] [ 0.5 0.686764 0.5 ] [ 0.5 0.313236 0.5 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.24393465 "source-unit" "angstrom" } "b" { "source-value" 7.36791163 "source-unit" "angstrom" } "c" { "source-value" 3.04429781 "source-unit" "angstrom" } }