{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nbm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.789305 0 ] [ 0.289305 0 0 ] [ 0.710695 0 0 ] [ 0.5 0.210695 0 ] [ 0 0.289305 0 ] [ 0.789305 0.5 0 ] [ 0.210695 0.5 0 ] [ 0 0.710695 0 ] [ 0.072348 0.784393 0.23351 ] [ 0.927652 0.784393 0.76649 ] [ 0.607185 0.892815 0.846611 ] [ 0.392815 0.892815 0.153389 ] [ 0.215607 0.927652 0.76649 ] [ 0.784393 0.927652 0.23351 ] [ 0.784393 0.072348 0.76649 ] [ 0.215607 0.072348 0.23351 ] [ 0.392815 0.107185 0.846611 ] [ 0.607185 0.107185 0.153389 ] [ 0.927652 0.215607 0.23351 ] [ 0.072348 0.215607 0.76649 ] [ 0.427652 0.284393 0.23351 ] [ 0.572348 0.284393 0.76649 ] [ 0.892815 0.392815 0.846611 ] [ 0.107185 0.392815 0.153389 ] [ 0.284393 0.427652 0.76649 ] [ 0.715607 0.427652 0.23351 ] [ 0.284393 0.572348 0.23351 ] [ 0.715607 0.572348 0.76649 ] [ 0.107185 0.607185 0.846611 ] [ 0.892815 0.607185 0.153389 ] [ 0.572348 0.715607 0.23351 ] [ 0.427652 0.715607 0.76649 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Sn" "Sn" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.85163103906 "source-unit" "angstrom" } "c" { "source-value" 4.72747199708 "source-unit" "angstrom" } }