{ "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 0.220394 0.000446 ] [ 0 0.277186 0.341517 ] [ 0 0.284662 0.658033 ] [ 0.5 0.715338 0.158033 ] [ 0.5 0.779606 0.500446 ] [ 0.5 0.722814 0.841517 ] [ 0.5 0.444086 0.270669 ] [ 0.5 0.40622 0.938945 ] [ 0.5 0.485087 0.596139 ] [ 0 0.555914 0.770669 ] [ 0 0.514913 0.096139 ] [ 0 0.59378 0.438945 ] [ 0 0.96959 0.562512 ] [ 0 0.919959 0.901347 ] [ 0.5 0.03041 0.062512 ] [ 0.5 0.080041 0.401347 ] [ 0 0.9381 0.230695 ] [ 0.5 0.0619 0.730695 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 2.88795874 "source-unit" "angstrom" } "b" { "source-value" 4.51660621 "source-unit" "angstrom" } "c" { "source-value" 13.53765731 "source-unit" "angstrom" } }