{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.50583 0.798021 0.746868 ] [ 0.50583 0.701979 0.246868 ] [ 0.49417 0.298021 0.753132 ] [ 0.49417 0.201979 0.253132 ] [ 0.14674 0.118962 0.253558 ] [ 0.329904 0.803747 0.001098 ] [ 0.670096 0.196253 0.998902 ] [ 0.85326 0.618962 0.246442 ] [ 0.343803 0.044158 0.682132 ] [ 0.14674 0.381038 0.753558 ] [ 0.670096 0.303747 0.498902 ] [ 0.343803 0.455842 0.182132 ] [ 0.656197 0.544158 0.817868 ] [ 0.656197 0.955842 0.317868 ] [ 0.85326 0.881038 0.746442 ] [ 0.329904 0.696253 0.501098 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Ge" "Ge" "Ge" "Ge" "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" 4.92689779505 "source-unit" "angstrom" } "b" { "source-value" 6.85573575 "source-unit" "angstrom" } "c" { "source-value" 6.30641892565 "source-unit" "angstrom" } "beta" { "source-value" 93.6240982633 "source-unit" "degree" } }