{ "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" [ [ 0.307963 0.435456 0.626662 ] [ 0.692037 0.564544 0.626662 ] [ 0.935456 0.807963 0.126662 ] [ 0.564544 0.307963 0.373338 ] [ 0.064544 0.192037 0.126662 ] [ 0.192037 0.935456 0.873338 ] [ 0.807963 0.064544 0.873338 ] [ 0.435456 0.692037 0.373338 ] [ 0.168147 0.389539 0.718599 ] [ 0.831853 0.610461 0.718599 ] [ 0.889539 0.668147 0.218599 ] [ 0.610461 0.168147 0.281401 ] [ 0.389539 0.831853 0.281401 ] [ 0.668147 0.110461 0.781401 ] [ 0.331853 0.889539 0.781401 ] [ 0.110461 0.331853 0.218599 ] [ 0.5 0.5 0.772252 ] [ 0.5 0.5 0.227748 ] [ 0 0 0.727748 ] [ 0 0 0.272252 ] [ 0.224182 0.63673 0.499555 ] [ 0.775818 0.36327 0.499555 ] [ 0.13673 0.724182 0.999555 ] [ 0.36327 0.224182 0.500445 ] [ 0.63673 0.775818 0.500445 ] [ 0.724182 0.86327 0.000445 ] [ 0.275818 0.13673 0.000445 ] [ 0.86327 0.275818 0.999555 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "H" "H" "H" "H" "H" "H" "H" "H" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.24796817 "source-unit" "angstrom" } "c" { "source-value" 9.29560385 "source-unit" "angstrom" } }