{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42d" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.377724 0.875 ] [ 0.877724 0.75 0.625 ] [ 0.75 0.122276 0.375 ] [ 0.122276 0.25 0.625 ] [ 0.25 0.877724 0.375 ] [ 0.377724 0.25 0.125 ] [ 0.25 0.622276 0.875 ] [ 0.622276 0.75 0.125 ] [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0.5 ] [ 0.09595 0.322521 0.941568 ] [ 0.59595 0.677479 0.808432 ] [ 0.822521 0.09595 0.691568 ] [ 0.677479 0.40405 0.191568 ] [ 0.90405 0.677479 0.941568 ] [ 0.677479 0.09595 0.058432 ] [ 0.822521 0.40405 0.558432 ] [ 0.40405 0.322521 0.808432 ] [ 0.59595 0.822521 0.441568 ] [ 0.09595 0.177479 0.308432 ] [ 0.322521 0.59595 0.191568 ] [ 0.177479 0.90405 0.691568 ] [ 0.40405 0.177479 0.441568 ] [ 0.177479 0.59595 0.558432 ] [ 0.322521 0.90405 0.058432 ] [ 0.90405 0.822521 0.308432 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Ca" "Ca" "Ca" "Ca" "S" "S" "S" "S" "S" "S" "S" "S" "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" 8.25612917 "source-unit" "angstrom" } "c" { "source-value" 8.83289109 "source-unit" "angstrom" } }