{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.981839 0.704499 0.385802 ] [ 0.018161 0.295501 0.885802 ] [ 0.518161 0.204499 0.114198 ] [ 0.481839 0.795501 0.885802 ] [ 0.981839 0.704499 0.114198 ] [ 0.018161 0.295501 0.614198 ] [ 0.518161 0.204499 0.385802 ] [ 0.481839 0.795501 0.614198 ] [ 0.456086 0.034001 0.75 ] [ 0.956086 0.465999 0.25 ] [ 0.043914 0.534001 0.75 ] [ 0.543914 0.965999 0.25 ] [ 0.32609 0.064675 0.376998 ] [ 0.82609 0.435325 0.623002 ] [ 0.17391 0.564675 0.123002 ] [ 0.67391 0.935325 0.876998 ] [ 0.67391 0.935325 0.623002 ] [ 0.17391 0.564675 0.376998 ] [ 0.82609 0.435325 0.876998 ] [ 0.32609 0.064675 0.123002 ] [ 0.146255 0.195613 0.892783 ] [ 0.853745 0.804387 0.392783 ] [ 0.353745 0.695613 0.607217 ] [ 0.353745 0.695613 0.892783 ] [ 0.853745 0.804387 0.107217 ] [ 0.146255 0.195613 0.607217 ] [ 0.646255 0.304387 0.392783 ] [ 0.646255 0.304387 0.107217 ] ] } "species" { "source-value" [ "C" "C" "C" "C" "C" "C" "C" "C" "Se" "Se" "Se" "Se" "S" "S" "S" "S" "S" "S" "S" "S" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.79430685 "source-unit" "angstrom" } "b" { "source-value" 9.99159639 "source-unit" "angstrom" } "c" { "source-value" 13.66814175 "source-unit" "angstrom" } }