{ "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 0.924622 0.173776 ] [ 0 0 0.5 ] [ 0 0.075378 0.826224 ] [ 0.5 0.424622 0.326224 ] [ 0.5 0.575378 0.673776 ] [ 0.5 0.5 0 ] [ 0.5 0.178658 0.434835 ] [ 0.5 0.261209 0.766911 ] [ 0 0.238791 0.266911 ] [ 0 0.321342 0.934835 ] [ 0 0.761209 0.733089 ] [ 0 0.678658 0.065165 ] [ 0.5 0.738791 0.233089 ] [ 0.5 0.821342 0.565165 ] [ 0.5 0.146517 0.10831 ] [ 0 0.353483 0.60831 ] [ 0 0.646517 0.39169 ] [ 0.5 0.853483 0.89169 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "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" 3.03833495 "source-unit" "angstrom" } "b" { "source-value" 4.67607567 "source-unit" "angstrom" } "c" { "source-value" 13.9533561 "source-unit" "angstrom" } }