{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.649703 0.949653 0.5 ] [ 0.949653 0.350297 0.5 ] [ 0.050347 0.649703 0.5 ] [ 0.350297 0.050347 0.5 ] [ 0.702361 0.601982 0 ] [ 0.601982 0.297639 0 ] [ 0.398018 0.702361 0 ] [ 0.297639 0.398018 0 ] [ 0 0 0 ] [ 0.697328 0.098564 0 ] [ 0.901436 0.697328 0 ] [ 0.400247 0.199765 0 ] [ 0.199765 0.599753 0 ] [ 0.800235 0.400247 0 ] [ 0.599753 0.800235 0 ] [ 0.046309 0.148337 0.5 ] [ 0.148337 0.953691 0.5 ] [ 0.851663 0.046309 0.5 ] [ 0.953691 0.851663 0.5 ] [ 0.253824 0.252576 0.5 ] [ 0.252576 0.746176 0.5 ] [ 0.747424 0.253824 0.5 ] [ 0.746176 0.747424 0.5 ] [ 0.150127 0.449775 0.5 ] [ 0.449775 0.849873 0.5 ] [ 0.550225 0.150127 0.5 ] [ 0.849873 0.550225 0.5 ] [ 0.453039 0.350245 0.5 ] [ 0.350245 0.546961 0.5 ] [ 0.649755 0.453039 0.5 ] [ 0.546961 0.649755 0.5 ] [ 0.302672 0.901436 0 ] [ 0.098564 0.302672 0 ] [ 0.797107 0.902284 0 ] [ 0.902284 0.202893 0 ] [ 0.097716 0.797107 0 ] [ 0.202893 0.097716 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.93632495 "source-unit" "angstrom" } "c" { "source-value" 4.02270651 "source-unit" "angstrom" } }