{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im2m" } "basis-atom-coordinates" { "source-value" [ [ 0.258867 0.007807 0.5 ] [ 0.241133 0.507807 0 ] [ 0 0.47757 0.5 ] [ 0 0.00855 0 ] [ 0.758867 0.507807 0 ] [ 0.741133 0.007807 0.5 ] [ 0.5 0.97757 0 ] [ 0.5 0.50855 0.5 ] [ 0 0.180859 0.5 ] [ 0 0.707632 0 ] [ 0 0.311756 0 ] [ 0.5 0.680859 0 ] [ 0.5 0.207632 0.5 ] [ 0.5 0.811756 0.5 ] [ 0.248584 0.000468 0.808916 ] [ 0.751416 0.000468 0.808916 ] [ 0.5 0.296149 0 ] [ 0.248584 0.000468 0.191084 ] [ 0.751416 0.000468 0.191084 ] [ 0.748584 0.500468 0.308916 ] [ 0.251416 0.500468 0.308916 ] [ 0 0.796149 0.5 ] [ 0.748584 0.500468 0.691084 ] [ 0.251416 0.500468 0.691084 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "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" 6.25308492 "source-unit" "angstrom" } "b" { "source-value" 6.43752739 "source-unit" "angstrom" } "c" { "source-value" 7.22939209 "source-unit" "angstrom" } }