{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.033641 0.282776 ] [ 0.25 0.466359 0.782776 ] [ 0.75 0.178589 0.943232 ] [ 0.25 0.321411 0.443232 ] [ 0.75 0.678589 0.556768 ] [ 0.25 0.821411 0.056768 ] [ 0.25 0.966359 0.717224 ] [ 0.75 0.533641 0.217224 ] [ 0.25 0.781656 0.36779 ] [ 0.25 0.281656 0.13221 ] [ 0.75 0.718344 0.86779 ] [ 0.75 0.218344 0.63221 ] [ 0.25 0.175087 0.947884 ] [ 0.25 0.048646 0.258984 ] [ 0.75 0.951354 0.741016 ] [ 0.75 0.324913 0.447884 ] [ 0.25 0.548646 0.241016 ] [ 0.25 0.675087 0.552116 ] [ 0.75 0.824913 0.052116 ] [ 0.75 0.451354 0.758984 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Re" "Re" "Re" "Re" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.06475464 "source-unit" "angstrom" } "b" { "source-value" 6.53420638 "source-unit" "angstrom" } "c" { "source-value" 9.79278232 "source-unit" "angstrom" } }