{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.665342 0.665342 0.5 ] [ 0.334658 0.334658 0.5 ] [ 0.834658 0.165342 0 ] [ 0.5 0 0.75 ] [ 0.165342 0.834658 0 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.5 0 0.25 ] [ 0.123739 0.123739 0.715347 ] [ 0.876261 0.876261 0.284653 ] [ 0.623739 0.376261 0.784653 ] [ 0.376261 0.623739 0.215347 ] [ 0.376261 0.623739 0.784653 ] [ 0.623739 0.376261 0.215347 ] [ 0.123739 0.123739 0.284653 ] [ 0.876261 0.876261 0.715347 ] [ 0.192398 0.807602 0.5 ] [ 0.692398 0.692398 0 ] [ 0.307602 0.307602 0 ] [ 0.807602 0.192398 0.5 ] [ 0.501654 0.76862 0 ] [ 0.23138 0.498346 0 ] [ 0.73138 0.001654 0.5 ] [ 0.180335 0.819665 0.701128 ] [ 0.319665 0.319665 0.201128 ] [ 0.498346 0.23138 0 ] [ 0.319665 0.319665 0.798872 ] [ 0.16375 0.16375 0 ] [ 0.26862 0.998346 0.5 ] [ 0.819665 0.180335 0.701128 ] [ 0.76862 0.501654 0 ] [ 0.680335 0.680335 0.798872 ] [ 0.66375 0.33625 0.5 ] [ 0.001654 0.73138 0.5 ] [ 0.33625 0.66375 0.5 ] [ 0.180335 0.819665 0.298872 ] [ 0.680335 0.680335 0.201128 ] [ 0.998346 0.26862 0.5 ] [ 0.819665 0.180335 0.298872 ] [ 0.83625 0.83625 0 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "K" "K" "K" "K" "K" "K" "K" "K" "Te" "Te" "Te" "Te" "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" 9.36162253 "source-unit" "angstrom" } "c" { "source-value" 9.71189825 "source-unit" "angstrom" } }