{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.006834 0.005485 0.827335 ] [ 0 0.973888 0.5 ] [ 0.993166 0.005485 0.172665 ] [ 0.46323 0.009254 0.674762 ] [ 0 0.50265 0 ] [ 0.53677 0.009254 0.325238 ] [ 0.506834 0.505485 0.827335 ] [ 0.5 0.473888 0.5 ] [ 0.493166 0.505485 0.172665 ] [ 0.96323 0.509254 0.674762 ] [ 0.5 0.00265 0 ] [ 0.03677 0.509254 0.325238 ] [ 0.818182 0.99874 0.333804 ] [ 0.993972 0.698811 0.843948 ] [ 0 0.67915 0.5 ] [ 0.006028 0.698811 0.156052 ] [ 0.994607 0.309828 0.841703 ] [ 0.005393 0.309828 0.158297 ] [ 0.181818 0.99874 0.666196 ] [ 0.318182 0.49874 0.333804 ] [ 0.493972 0.198811 0.843948 ] [ 0.5 0.17915 0.5 ] [ 0.506028 0.198811 0.156052 ] [ 0.494607 0.809828 0.841703 ] [ 0.505393 0.809828 0.158297 ] [ 0.681818 0.49874 0.666196 ] [ 0.800377 0.997441 0.667186 ] [ 0.810242 0.005133 0.99823 ] [ 0 0.29493 0.5 ] [ 0.189758 0.005133 0.00177 ] [ 0.199623 0.997441 0.332814 ] [ 0.300377 0.497441 0.667186 ] [ 0.310242 0.505133 0.99823 ] [ 0.5 0.79493 0.5 ] [ 0.689758 0.505133 0.00177 ] [ 0.699623 0.497441 0.332814 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.96842096 "source-unit" "angstrom" } "b" { "source-value" 6.49401822 "source-unit" "angstrom" } "c" { "source-value" 9.11406999 "source-unit" "angstrom" } "beta" { "source-value" 90.25614074 "source-unit" "degree" } }