{ "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 0.226994 0.998725 ] [ 0 0.352025 0.332429 ] [ 0 0.207532 0.669794 ] [ 0.5 0.792468 0.169794 ] [ 0.5 0.773006 0.498725 ] [ 0.5 0.647975 0.832429 ] [ 0.5 0.517552 0.269805 ] [ 0.5 0.381977 0.931301 ] [ 0 0.482448 0.769805 ] [ 0 0.618023 0.431301 ] [ 0 0.944709 0.564309 ] [ 0.5 0.055291 0.064309 ] [ 0.5 0.427081 0.601509 ] [ 0 0.572919 0.101509 ] [ 0 0.028687 0.236044 ] [ 0 0.855129 0.896127 ] [ 0.5 0.144871 0.396127 ] [ 0.5 0.971313 0.736044 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "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" 2.94441873 "source-unit" "angstrom" } "b" { "source-value" 4.604404 "source-unit" "angstrom" } "c" { "source-value" 13.61501398 "source-unit" "angstrom" } }