{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1c" } "basis-atom-coordinates" { "source-value" [ [ 0.382165 0.796461 0.501409 ] [ 0.117835 0.296461 0.998591 ] [ 0.617835 0.203539 0.501409 ] [ 0.882165 0.703539 0.998591 ] [ 0.796461 0.617835 0.498591 ] [ 0.296461 0.882165 0.001409 ] [ 0.203539 0.382165 0.498591 ] [ 0.703539 0.117835 0.001409 ] [ 0.5 0.5 0.778525 ] [ 0 0 0.721475 ] [ 0.5 0.5 0.221475 ] [ 0 0 0.278525 ] [ 0.177009 0.659462 0.741373 ] [ 0.322991 0.159462 0.758627 ] [ 0.822991 0.340538 0.741373 ] [ 0.677009 0.840538 0.758627 ] [ 0.659462 0.822991 0.258627 ] [ 0.159462 0.677009 0.241373 ] [ 0.340538 0.177009 0.258627 ] [ 0.840538 0.322991 0.241373 ] [ 0.254132 0.606962 0.669338 ] [ 0.245868 0.106962 0.830662 ] [ 0.745868 0.393038 0.669338 ] [ 0.754132 0.893038 0.830662 ] [ 0.606962 0.745868 0.330662 ] [ 0.106962 0.754132 0.169338 ] [ 0.393038 0.254132 0.330662 ] [ 0.893038 0.245868 0.169338 ] [ 0.582407 0.688187 0.62462 ] [ 0.917593 0.188187 0.87538 ] [ 0.417593 0.311813 0.62462 ] [ 0.082407 0.811813 0.87538 ] [ 0.688187 0.417593 0.37538 ] [ 0.188187 0.082407 0.12462 ] [ 0.311813 0.582407 0.37538 ] [ 0.811813 0.917593 0.12462 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "H" "H" "H" "H" "H" "H" "H" "H" "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" 8.00802901 "source-unit" "angstrom" } "c" { "source-value" 9.14954304 "source-unit" "angstrom" } }