{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.778312 ] [ 0 0.5 0.221688 ] [ 0.75 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0 ] [ 0.5 0.222396 0.270825 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0.5 0.777604 0.270825 ] [ 0.352564 0.5 0.239293 ] [ 0 0.147436 0.239293 ] [ 0 0.852564 0.239293 ] [ 0.647436 0.5 0.239293 ] [ 0.147436 0 0.760707 ] [ 0.852564 0 0.760707 ] [ 0.5 0.352564 0.760707 ] [ 0.5 0.647436 0.760707 ] [ 0.777604 0.5 0.729175 ] [ 0 0.722396 0.729175 ] [ 0 0.277604 0.729175 ] [ 0.222396 0.5 0.729175 ] [ 0.722396 0 0.270825 ] [ 0.277604 0 0.270825 ] ] } "species" { "source-value" [ "Er" "Er" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.1468413 "source-unit" "angstrom" } "c" { "source-value" 4.6629114 "source-unit" "angstrom" } }