{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0.734644 0.265356 0.110582 ] [ 0.265356 0.265356 0.889418 ] [ 0.265356 0.734644 0.110582 ] [ 0.734644 0.734644 0.889418 ] [ 0.234644 0.765356 0.610582 ] [ 0.765356 0.765356 0.389418 ] [ 0.765356 0.234644 0.610582 ] [ 0.234644 0.234644 0.389418 ] ] } "species" { "source-value" [ "Mn" "Mn" "In" "In" "In" "In" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.31402735 "source-unit" "angstrom" } "c" { "source-value" 12.56092936 "source-unit" "angstrom" } }