{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0 0.786821 0.25 ] [ 0 0.213179 0.75 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.5 0.286821 0.75 ] [ 0.5 0.713179 0.25 ] [ 0 0.914628 0.75 ] [ 0 0.085372 0.25 ] [ 0.5 0.414628 0.25 ] [ 0.5 0.585372 0.75 ] [ 0.75 0.75 0.047118 ] [ 0.25 0.75 0.047118 ] [ 0 0.469002 0.25 ] [ 0.5 0.030998 0.25 ] [ 0.25 0.75 0.452882 ] [ 0.75 0.75 0.452882 ] [ 0.25 0.25 0.547118 ] [ 0.75 0.25 0.547118 ] [ 0.5 0.969002 0.75 ] [ 0 0.530998 0.75 ] [ 0.75 0.25 0.952882 ] [ 0.25 0.25 0.952882 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "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" 6.3403416 "source-unit" "angstrom" } "b" { "source-value" 6.76015729 "source-unit" "angstrom" } "c" { "source-value" 6.98185071 "source-unit" "angstrom" } }