{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.51901 0.644811 0.378709 ] [ 0.98099 0.144811 0.621291 ] [ 0.48099 0.355189 0.378709 ] [ 0.01901 0.855189 0.621291 ] [ 0.644811 0.48099 0.621291 ] [ 0.855189 0.98099 0.378709 ] [ 0.355189 0.51901 0.621291 ] [ 0.144811 0.01901 0.378709 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0.021808 ] [ 0.5 0 0.978192 ] [ 0 0.5 0.27694 ] [ 0.5 0 0.72306 ] [ 0.364209 0.135791 0.106686 ] [ 0.135791 0.635791 0.893314 ] [ 0.635791 0.864209 0.106686 ] [ 0.864209 0.364209 0.893314 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "N" "N" "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" 5.76611437 "source-unit" "angstrom" } "c" { "source-value" 4.93644682 "source-unit" "angstrom" } }