{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/nmc" } "basis-atom-coordinates" { "source-value" [ [ 0.776596 0.776596 0 ] [ 0.223404 0.776596 0 ] [ 0.5 0 0.948789 ] [ 0.5 0 0.448789 ] [ 0.776596 0.223404 0 ] [ 0.223404 0.223404 0 ] [ 0.276596 0.276596 0.5 ] [ 0.723404 0.276596 0.5 ] [ 0 0.5 0.551211 ] [ 0 0.5 0.051211 ] [ 0.276596 0.723404 0.5 ] [ 0.723404 0.723404 0.5 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.759495 0.2 ] [ 0.259495 0 0.7 ] [ 0.740505 0 0.7 ] [ 0.5 0.240505 0.2 ] [ 0 0.259495 0.3 ] [ 0.240505 0.5 0.8 ] [ 0.759495 0.5 0.8 ] [ 0 0.740505 0.3 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.16322731 "source-unit" "angstrom" } "c" { "source-value" 5.63560274 "source-unit" "angstrom" } }