{ "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" [ [ 0.540234 0.62626 0.856086 ] [ 0.062782 0.89328 0.647692 ] [ 0.459766 0.12626 0.643914 ] [ 0.459766 0.37374 0.143914 ] [ 0.540234 0.87374 0.356086 ] [ 0.062782 0.60672 0.147692 ] [ 0.937218 0.10672 0.352308 ] [ 0.937218 0.39328 0.852308 ] [ 0.064771 0.928061 0.942481 ] [ 0.935229 0.071939 0.057519 ] [ 0.935229 0.428061 0.557519 ] [ 0.428881 0.909425 0.041915 ] [ 0.571119 0.409425 0.458085 ] [ 0.064771 0.571939 0.442481 ] [ 0.428881 0.590575 0.541915 ] [ 0.571119 0.090575 0.958085 ] [ 0.742378 0.681852 0.62658 ] [ 0.762156 0.114908 0.580546 ] [ 0.237844 0.885092 0.419454 ] [ 0.762156 0.385092 0.080546 ] [ 0.24186 0.031313 0.181481 ] [ 0.742378 0.818148 0.12658 ] [ 0.237844 0.614908 0.919454 ] [ 0.257622 0.181852 0.87342 ] [ 0.24186 0.468687 0.681481 ] [ 0.75814 0.968687 0.818519 ] [ 0.257622 0.318148 0.37342 ] [ 0.75814 0.531313 0.318519 ] [ 0.621951 0.199575 0.499996 ] [ 0.378049 0.800425 0.500004 ] [ 0.76465 0.126531 0.717948 ] [ 0.378049 0.699575 0.000004 ] [ 0.872723 0.549109 0.639965 ] [ 0.23535 0.626531 0.782052 ] [ 0.621951 0.300425 0.999996 ] [ 0.23535 0.873469 0.282052 ] [ 0.101114 0.018805 0.078061 ] [ 0.127277 0.450891 0.360035 ] [ 0.240528 0.121122 0.444913 ] [ 0.258014 0.253954 0.743603 ] [ 0.623511 0.493212 0.356382 ] [ 0.898886 0.518805 0.421939 ] [ 0.741986 0.746046 0.256397 ] [ 0.376489 0.993212 0.143618 ] [ 0.623511 0.006788 0.856382 ] [ 0.759472 0.878878 0.555087 ] [ 0.101127 0.79736 0.439582 ] [ 0.240528 0.378878 0.944913 ] [ 0.598662 0.574366 0.566374 ] [ 0.898873 0.20264 0.560418 ] [ 0.872723 0.950891 0.139965 ] [ 0.401338 0.074366 0.933626 ] [ 0.598662 0.925634 0.066374 ] [ 0.376489 0.506788 0.643618 ] [ 0.401338 0.425634 0.433626 ] [ 0.759472 0.621122 0.055087 ] [ 0.258014 0.246046 0.243603 ] [ 0.101114 0.481195 0.578061 ] [ 0.741986 0.753954 0.756397 ] [ 0.898886 0.981195 0.921939 ] [ 0.101127 0.70264 0.939582 ] [ 0.127277 0.049109 0.860035 ] [ 0.898873 0.29736 0.060418 ] [ 0.76465 0.373469 0.217948 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.3148832345 "source-unit" "angstrom" } "b" { "source-value" 6.98091842 "source-unit" "angstrom" } "c" { "source-value" 12.2473579011 "source-unit" "angstrom" } "beta" { "source-value" 106.716519194 "source-unit" "degree" } }