{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn2_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.994754 0.721209 0.839839 ] [ 0.994754 0.721209 0.160161 ] [ 0.023762 0.747397 0.5 ] [ 0.494754 0.278791 0.660161 ] [ 0.523762 0.252603 0 ] [ 0.494754 0.278791 0.339839 ] [ 0.199337 0.535306 0 ] [ 0.191122 0.561257 0.327587 ] [ 0.191122 0.561257 0.672413 ] [ 0.691122 0.438743 0.827587 ] [ 0.691122 0.438743 0.172413 ] [ 0.699337 0.464694 0.5 ] [ 0.307934 0.072627 0.5 ] [ 0.807934 0.927373 0 ] [ 0.298633 0.045512 0.829599 ] [ 0.298633 0.045512 0.170401 ] [ 0.798633 0.954488 0.329599 ] [ 0.798633 0.954488 0.670401 ] ] } "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" 4.59204791 "source-unit" "angstrom" } "b" { "source-value" 4.62829545 "source-unit" "angstrom" } "c" { "source-value" 9.25537042 "source-unit" "angstrom" } }