{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2mm" } "basis-atom-coordinates" { "source-value" [ [ 0.73047 0.009195 0 ] [ 0.26953 0.009195 0 ] [ 0.5 0.480249 0 ] [ 0 0.506535 0 ] [ 0.73047 0.509195 0.5 ] [ 0.26953 0.509195 0.5 ] [ 0.5 0.980249 0.5 ] [ 0 0.006535 0.5 ] [ 0.5 0.194626 0 ] [ 0.5 0.694626 0.5 ] [ 0 0.199167 0 ] [ 0.755547 0.00081 0.293167 ] [ 0.244453 0.00081 0.293167 ] [ 0.755547 0.00081 0.706833 ] [ 0.244453 0.00081 0.706833 ] [ 0.5 0.785202 0 ] [ 0 0.812593 0 ] [ 0 0.699167 0.5 ] [ 0.755547 0.50081 0.793167 ] [ 0.244453 0.50081 0.793167 ] [ 0.755547 0.50081 0.206833 ] [ 0.244453 0.50081 0.206833 ] [ 0.5 0.285202 0.5 ] [ 0 0.312593 0.5 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "F" "F" "F" "F" "F" "F" "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" 6.36789495 "source-unit" "angstrom" } "b" { "source-value" 6.82747784 "source-unit" "angstrom" } "c" { "source-value" 6.90241031 "source-unit" "angstrom" } }