{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.259899 0.738226 0.165756 ] [ 0.740101 0.261774 0.834244 ] [ 0.298418 0.24461 0.152184 ] [ 0.701582 0.75539 0.847816 ] [ 0.754888 0.531167 0.331125 ] [ 0.245112 0.468833 0.668875 ] [ 0 0 0.5 ] [ 0.789242 0.000082 0.204879 ] [ 0.314262 0.010426 0.636643 ] [ 0.210758 0.999918 0.795121 ] [ 0.685738 0.989574 0.363357 ] [ 0.185888 0.946002 0.668725 ] [ 0.666517 0.884572 0.997567 ] [ 0.912286 0.765858 0.350079 ] [ 0.087714 0.234142 0.649921 ] [ 0.111371 0.277381 0.076198 ] [ 0.736544 0.865978 0.676123 ] [ 0.48685 0.523207 0.78763 ] [ 0.26877 0.539341 0.481186 ] [ 0.73123 0.460659 0.518814 ] [ 0.888629 0.722619 0.923802 ] [ 0.333483 0.115428 0.002433 ] [ 0.51315 0.476793 0.21237 ] [ 0.263456 0.134022 0.323877 ] [ 0.814112 0.053998 0.331275 ] [ 0.838268 0.415427 0.22335 ] [ 0.161732 0.584573 0.77665 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cr" "Cr" "Cr" "Cr" "Cu" "H" "H" "H" "H" "O" "O" "O" "O" "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" 7.74571993393 "source-unit" "angstrom" } "b" { "source-value" 7.96617298723 "source-unit" "angstrom" } "c" { "source-value" 7.85217962721 "source-unit" "angstrom" } "alpha" { "source-value" 93.268951868 "source-unit" "degree" } "beta" { "source-value" 98.9970488004 "source-unit" "degree" } "gamma" { "source-value" 117.354101797 "source-unit" "degree" } }