{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.975967 0 0.011171 ] [ 0.977887 0 0.51212 ] [ 0.483543 0.5 0.722421 ] [ 0.548623 0.5 0.260977 ] [ 0.8051 0.5 0.599533 ] [ 0.806096 0.5 0.09465 ] [ 0.706623 0 0.348597 ] [ 0.297912 0 0.649736 ] [ 0.695115 0 0.848178 ] [ 0.307311 0 0.151147 ] [ 0.195484 0.5 0.905829 ] [ 0.200341 0.5 0.395642 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "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" 4.75112656 "source-unit" "angstrom" } "b" { "source-value" 3.12241477 "source-unit" "angstrom" } "c" { "source-value" 9.43724639 "source-unit" "angstrom" } "beta" { "source-value" 90.10589974 "source-unit" "degree" } }