{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.80606 0 0.75908 ] [ 0.002261 0 0.645438 ] [ 0.001478 0 0.882376 ] [ 0.806519 0 0.004175 ] [ 0.815154 0 0.521737 ] [ 0.34542 0.5 0.307937 ] [ 0.5 0 0.5 ] [ 0.65458 0.5 0.692063 ] [ 0.193481 0 0.995825 ] [ 0.184846 0 0.478263 ] [ 0.19394 0 0.24092 ] [ 0.998522 0 0.117624 ] [ 0.997739 0 0.354562 ] [ 0.30606 0.5 0.75908 ] [ 0.502261 0.5 0.645438 ] [ 0.501478 0.5 0.882376 ] [ 0.306519 0.5 0.004175 ] [ 0.315154 0.5 0.521737 ] [ 0.84542 0 0.307937 ] [ 0 0.5 0.5 ] [ 0.15458 0 0.692063 ] [ 0.693481 0.5 0.995825 ] [ 0.684846 0.5 0.478263 ] [ 0.69394 0.5 0.24092 ] [ 0.498522 0.5 0.117624 ] [ 0.497739 0.5 0.354562 ] [ 0.066107 0.5 0.323088 ] [ 0.930664 0.5 0.913829 ] [ 0.072468 0.5 0.850054 ] [ 0.933893 0.5 0.676912 ] [ 0.927532 0.5 0.149946 ] [ 0.069336 0.5 0.086171 ] [ 0.566107 0 0.323088 ] [ 0.430664 0 0.913829 ] [ 0.572468 0 0.850054 ] [ 0.433893 0 0.676912 ] [ 0.427532 0 0.149946 ] [ 0.569336 0 0.086171 ] [ 0.860874 0.5 0.70552 ] [ 0.855245 0.5 0.939058 ] [ 0.144755 0.5 0.060942 ] [ 0.630748 0 0.527625 ] [ 0.13292 0.5 0.799994 ] [ 0.86708 0.5 0.200006 ] [ 0.369252 0 0.472375 ] [ 0.139126 0.5 0.29448 ] [ 0.360874 0 0.70552 ] [ 0.355245 0 0.939058 ] [ 0.644755 0 0.060942 ] [ 0.130748 0.5 0.527625 ] [ 0.63292 0 0.799994 ] [ 0.36708 0 0.200006 ] [ 0.869252 0.5 0.472375 ] [ 0.639126 0 0.29448 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 28.805465003 "source-unit" "angstrom" } "b" { "source-value" 4.84016063675 "source-unit" "angstrom" } "c" { "source-value" 17.5605633976 "source-unit" "angstrom" } "beta" { "source-value" 139.516950047 "source-unit" "degree" } }