{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2" } "basis-atom-coordinates" { "source-value" [ [ 0.707856 0.996272 0.903463 ] [ 0.404974 0.995202 0.794945 ] [ 0.099068 0.004511 0.706131 ] [ 0.795518 0.005757 0.598006 ] [ 0.292144 0.996272 0.096537 ] [ 0.595026 0.995202 0.205055 ] [ 0.900932 0.004511 0.293869 ] [ 0.204482 0.005757 0.401994 ] [ 0.209934 0.875404 0.889662 ] [ 0.891489 0.124403 0.798987 ] [ 0.613884 0.876851 0.702163 ] [ 0.294982 0.122272 0.609489 ] [ 0 0.883934 0.5 ] [ 0.790066 0.875404 0.110338 ] [ 0.108511 0.124403 0.201013 ] [ 0.386116 0.876851 0.297837 ] [ 0.705018 0.122272 0.390511 ] [ 0.5 0.116675 0 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.85387334 "source-unit" "angstrom" } "b" { "source-value" 10.20474793 "source-unit" "angstrom" } "c" { "source-value" 7.85835611 "source-unit" "angstrom" } "beta" { "source-value" 90.00549887 "source-unit" "degree" } }