{ "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" [ [ 0.995234 0.716368 0.826704 ] [ 0.995234 0.716368 0.173296 ] [ 0.028059 0.745399 0.5 ] [ 0.528059 0.254601 0 ] [ 0.495234 0.283632 0.673296 ] [ 0.495234 0.283632 0.326704 ] [ 0.196292 0.556542 0.669399 ] [ 0.196292 0.556542 0.330601 ] [ 0.696292 0.443458 0.169399 ] [ 0.696292 0.443458 0.830601 ] [ 0.195565 0.528564 0 ] [ 0.695565 0.471436 0.5 ] [ 0.307613 0.084296 0.5 ] [ 0.29282 0.03276 0.837828 ] [ 0.29282 0.03276 0.162172 ] [ 0.807613 0.915704 0 ] [ 0.79282 0.96724 0.662172 ] [ 0.79282 0.96724 0.337828 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "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" 4.53382539 "source-unit" "angstrom" } "b" { "source-value" 4.61806454 "source-unit" "angstrom" } "c" { "source-value" 9.38088554 "source-unit" "angstrom" } }