{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.020415 0.93037 0.75 ] [ 0.520415 0.56963 0.25 ] [ 0.479585 0.43037 0.75 ] [ 0.979585 0.06963 0.25 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.69093 0.306472 0.437658 ] [ 0.19093 0.193528 0.562342 ] [ 0.80907 0.806472 0.062342 ] [ 0.30907 0.693528 0.937658 ] [ 0.30907 0.693528 0.562342 ] [ 0.80907 0.806472 0.437658 ] [ 0.19093 0.193528 0.937658 ] [ 0.69093 0.306472 0.062342 ] [ 0.122338 0.452606 0.25 ] [ 0.622338 0.047394 0.75 ] [ 0.877662 0.547394 0.75 ] [ 0.377662 0.952606 0.25 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.30309548 "source-unit" "angstrom" } "b" { "source-value" 5.62506037 "source-unit" "angstrom" } "c" { "source-value" 7.69459293 "source-unit" "angstrom" } }