{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.065796 0.25 0.297582 ] [ 0.934204 0.75 0.702418 ] [ 0.436188 0.624726 0.094217 ] [ 0.389053 0.633822 0.355931 ] [ 0.389053 0.866178 0.355931 ] [ 0.610947 0.133822 0.644069 ] [ 0.866181 0.25 0.877724 ] [ 0.610947 0.366178 0.644069 ] [ 0.436188 0.875274 0.094217 ] [ 0.563812 0.124726 0.905783 ] [ 0.133819 0.75 0.122276 ] [ 0.563812 0.375274 0.905783 ] [ 0.646584 0.25 0.860088 ] [ 0.353416 0.75 0.139912 ] [ 0.450254 0.75 0.306799 ] [ 0.549746 0.25 0.693201 ] [ 0.915159 0.25 0.466904 ] [ 0.849965 0.427895 0.217602 ] [ 0.232768 0.25 0.133377 ] [ 0.150035 0.927895 0.782398 ] [ 0.698008 0.57784 0.615559 ] [ 0.084841 0.75 0.533096 ] [ 0.301992 0.42216 0.384441 ] [ 0.767232 0.75 0.866623 ] [ 0.150035 0.572105 0.782398 ] [ 0.301992 0.07784 0.384441 ] [ 0.849965 0.072105 0.217602 ] [ 0.698008 0.92216 0.615559 ] ] } "species" { "source-value" [ "As" "As" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "O" "O" "F" "F" "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" 5.02707288943 "source-unit" "angstrom" } "b" { "source-value" 7.18407633 "source-unit" "angstrom" } "c" { "source-value" 8.78653909584 "source-unit" "angstrom" } "beta" { "source-value" 97.7530853084 "source-unit" "degree" } }