{ "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 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.776695 0.5 0 ] [ 0.5 0.776695 0 ] [ 0.223305 0.5 0 ] [ 0.5 0.223305 0 ] [ 0 0.723305 0 ] [ 0.723305 0 0 ] [ 0.276695 0 0 ] [ 0 0.276695 0 ] [ 0.934684 0.810594 0.24253 ] [ 0.065316 0.189406 0.24253 ] [ 0.189406 0.934684 0.24253 ] [ 0.810594 0.065316 0.24253 ] [ 0.810594 0.934684 0.75747 ] [ 0.934684 0.189406 0.75747 ] [ 0.065316 0.810594 0.75747 ] [ 0.189406 0.065316 0.75747 ] [ 0.565316 0.689406 0.75747 ] [ 0.434684 0.310594 0.75747 ] [ 0.310594 0.565316 0.75747 ] [ 0.689406 0.434684 0.75747 ] [ 0.689406 0.565316 0.24253 ] [ 0.565316 0.310594 0.24253 ] [ 0.62168 0.87832 0.14603 ] [ 0.87832 0.37832 0.14603 ] [ 0.12168 0.62168 0.14603 ] [ 0.37832 0.12168 0.14603 ] [ 0.37832 0.87832 0.85397 ] [ 0.62168 0.12168 0.85397 ] [ 0.87832 0.62168 0.85397 ] [ 0.12168 0.37832 0.85397 ] [ 0.310594 0.434684 0.24253 ] [ 0.434684 0.689406 0.24253 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ca" "Ca" "V" "V" "V" "V" "V" "V" "V" "V" "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" 10.55097191 "source-unit" "angstrom" } "c" { "source-value" 5.05984927 "source-unit" "angstrom" } }