{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.651626 0 0.5 ] [ 0.348374 0 0.5 ] [ 0 0.812763 0.5 ] [ 0 0.187237 0.5 ] [ 0.151626 0.5 0.5 ] [ 0.848374 0.5 0.5 ] [ 0.5 0.312763 0.5 ] [ 0.5 0.687237 0.5 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0 0 0 ] [ 0.892723 0.6771 0 ] [ 0.107277 0.3229 0 ] [ 0.892723 0.3229 0 ] [ 0.107277 0.6771 0 ] [ 0.18268 0.108268 0 ] [ 0.81732 0.891732 0 ] [ 0.18268 0.891732 0 ] [ 0.81732 0.108268 0 ] [ 0.123373 0 0.5 ] [ 0.876627 0 0.5 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.5 0.5 0 ] [ 0.392723 0.1771 0 ] [ 0.607277 0.8229 0 ] [ 0.392723 0.8229 0 ] [ 0.607277 0.1771 0 ] [ 0.68268 0.608268 0 ] [ 0.31732 0.391732 0 ] [ 0.68268 0.391732 0 ] [ 0.31732 0.608268 0 ] [ 0.623373 0.5 0.5 ] [ 0.376627 0.5 0.5 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0 0.44297 0 ] [ 0 0.55703 0 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0.5 0.94297 0 ] [ 0.5 0.05703 0 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 11.6856717374 "source-unit" "angstrom" } "b" { "source-value" 11.9462988606 "source-unit" "angstrom" } "c" { "source-value" 3.83818521 "source-unit" "angstrom" } }