{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcm" } "basis-atom-coordinates" { "source-value" [ [ 0.609313 0.25 0.5 ] [ 0.609313 0.25 0 ] [ 0.390687 0.75 0.5 ] [ 0.390687 0.75 0 ] [ 0.865494 0.526942 0.75 ] [ 0.865494 0.973058 0.25 ] [ 0.134506 0.026942 0.75 ] [ 0.134506 0.473058 0.25 ] [ 0.114624 0.25 0 ] [ 0.885376 0.75 0 ] [ 0.885376 0.75 0.5 ] [ 0.114624 0.25 0.5 ] [ 0.570962 0.866697 0.75 ] [ 0.570962 0.633303 0.25 ] [ 0.429038 0.366697 0.75 ] [ 0.429038 0.133303 0.25 ] [ 0.279045 0.432946 0.031372 ] [ 0.279045 0.067054 0.968628 ] [ 0.720955 0.932946 0.468628 ] [ 0.720955 0.567054 0.531372 ] [ 0.720955 0.567054 0.968628 ] [ 0.720955 0.932946 0.031372 ] [ 0.279045 0.067054 0.531372 ] [ 0.279045 0.432946 0.468628 ] [ 0.053087 0.741253 0.121363 ] [ 0.053087 0.741253 0.378637 ] [ 0.946913 0.241253 0.378637 ] [ 0.946913 0.258747 0.621363 ] [ 0.946913 0.258747 0.878637 ] [ 0.946913 0.241253 0.121363 ] [ 0.053087 0.758747 0.621363 ] [ 0.053087 0.758747 0.878637 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Si" "Si" "Si" "Si" "Se" "Se" "Se" "Se" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.0201462 "source-unit" "angstrom" } "b" { "source-value" 6.92076889 "source-unit" "angstrom" } "c" { "source-value" 10.78953671 "source-unit" "angstrom" } }