{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.938911 0.842986 ] [ 0 0.061089 0.157014 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.561089 0.342986 ] [ 0.5 0.438911 0.657014 ] [ 0.5 0.228473 0.096414 ] [ 0 0.271527 0.596414 ] [ 0 0.728473 0.403586 ] [ 0.5 0.771527 0.903586 ] [ 0.5 0.199683 0.434359 ] [ 0.5 0.144755 0.774571 ] [ 0 0.300317 0.934359 ] [ 0 0.355245 0.274571 ] [ 0 0.699683 0.065641 ] [ 0 0.644755 0.725429 ] [ 0.5 0.855245 0.225429 ] [ 0.5 0.800317 0.565641 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "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" 3.1573821 "source-unit" "angstrom" } "b" { "source-value" 4.87926344 "source-unit" "angstrom" } "c" { "source-value" 14.38597288 "source-unit" "angstrom" } }