{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.373734 0.650581 ] [ 0 0.626266 0.349419 ] [ 0 0.873734 0.849419 ] [ 0 0.126266 0.150581 ] [ 0 0.368304 0.912541 ] [ 0 0.631696 0.087459 ] [ 0 0.868304 0.587459 ] [ 0 0.131696 0.412541 ] [ 0.5 0.023077 0.688431 ] [ 0.5 0.976923 0.311569 ] [ 0.5 0.523077 0.811569 ] [ 0.5 0.476923 0.188431 ] [ 0.5 0.110199 0.54516 ] [ 0.5 0.889801 0.45484 ] [ 0.5 0.610199 0.95484 ] [ 0.5 0.389801 0.04516 ] [ 0.5 0.279814 0.317789 ] [ 0.5 0.720186 0.682211 ] [ 0.5 0.779814 0.182211 ] [ 0.5 0.220186 0.817789 ] [ 0.5 0.358538 0.467801 ] [ 0.5 0.641462 0.532199 ] [ 0.5 0.858538 0.032199 ] [ 0.5 0.141462 0.967801 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.44159206 "source-unit" "angstrom" } "b" { "source-value" 5.96079437 "source-unit" "angstrom" } "c" { "source-value" 11.53341149 "source-unit" "angstrom" } }