{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.661306 ] [ 0.666667 0.333333 0.994639 ] [ 0.333333 0.666667 0.327972 ] [ 0 0 0.161306 ] [ 0.666667 0.333333 0.494639 ] [ 0.333333 0.666667 0.827972 ] [ 0.134237 0.400329 0.609193 ] [ 0.800904 0.733662 0.942526 ] [ 0.467571 0.066995 0.275859 ] [ 0.599671 0.733909 0.609193 ] [ 0.266338 0.067242 0.942526 ] [ 0.933005 0.400575 0.275859 ] [ 0.266091 0.865763 0.609193 ] [ 0.932758 0.199096 0.942526 ] [ 0.599425 0.532429 0.275859 ] [ 0.932758 0.733662 0.442526 ] [ 0.599425 0.066995 0.775859 ] [ 0.266091 0.400329 0.109193 ] [ 0.800904 0.067242 0.442526 ] [ 0.467571 0.400575 0.775859 ] [ 0.134237 0.733909 0.109193 ] [ 0.266338 0.199096 0.442526 ] [ 0.933005 0.532429 0.775859 ] [ 0.599671 0.865763 0.109193 ] [ 0 0 0.310434 ] [ 0.666667 0.333333 0.643768 ] [ 0.333333 0.666667 0.977101 ] [ 0 0 0.810434 ] [ 0.666667 0.333333 0.143768 ] [ 0.333333 0.666667 0.477101 ] [ 0.340211 0.220261 0.569556 ] [ 0.006877 0.553594 0.90289 ] [ 0.673544 0.886928 0.236223 ] [ 0.779739 0.11995 0.569556 ] [ 0.446406 0.453283 0.90289 ] [ 0.113072 0.786616 0.236223 ] [ 0.88005 0.659789 0.569556 ] [ 0.546717 0.993123 0.90289 ] [ 0.213384 0.326456 0.236223 ] [ 0.673544 0.786616 0.736223 ] [ 0.340211 0.11995 0.069556 ] [ 0.006877 0.453283 0.40289 ] [ 0.113072 0.326456 0.736223 ] [ 0.779739 0.659789 0.069556 ] [ 0.446406 0.993123 0.40289 ] [ 0.213384 0.886928 0.736223 ] [ 0.88005 0.220261 0.069556 ] [ 0.546717 0.553594 0.40289 ] [ 0.372467 0.097776 0.393406 ] [ 0.039134 0.431109 0.726739 ] [ 0.705801 0.764443 0.060072 ] [ 0.235557 0.294199 0.560072 ] [ 0.902224 0.627533 0.893406 ] [ 0.568891 0.960866 0.226739 ] [ 0.697936 0.871514 0.681065 ] [ 0.364603 0.204847 0.014398 ] [ 0.031269 0.53818 0.347732 ] [ 0.173578 0.302064 0.681065 ] [ 0.840244 0.635397 0.014398 ] [ 0.506911 0.968731 0.347732 ] [ 0.128486 0.826422 0.681065 ] [ 0.795153 0.159756 0.014398 ] [ 0.46182 0.493089 0.347732 ] [ 0.795153 0.635397 0.514398 ] [ 0.46182 0.968731 0.847732 ] [ 0.128486 0.302064 0.181065 ] [ 0.840244 0.204847 0.514398 ] [ 0.506911 0.53818 0.847732 ] [ 0.173578 0.871514 0.181065 ] [ 0.364603 0.159756 0.514398 ] [ 0.031269 0.493089 0.847732 ] [ 0.697936 0.826422 0.181065 ] [ 0.986068 0.822043 0.258071 ] [ 0.652735 0.155376 0.591404 ] [ 0.319402 0.48871 0.924737 ] [ 0.835975 0.013932 0.258071 ] [ 0.502641 0.347265 0.591404 ] [ 0.169308 0.680598 0.924737 ] [ 0.177957 0.164025 0.258071 ] [ 0.844624 0.497359 0.591404 ] [ 0.51129 0.830692 0.924737 ] [ 0.177957 0.013932 0.758071 ] [ 0.844624 0.347265 0.091404 ] [ 0.51129 0.680598 0.424737 ] [ 0.058642 0.764443 0.560072 ] [ 0.725309 0.097776 0.893406 ] [ 0.391975 0.431109 0.226739 ] [ 0.986068 0.164025 0.758071 ] [ 0.652735 0.497359 0.091404 ] [ 0.319402 0.830692 0.424737 ] [ 0.48823 0.414559 0.443074 ] [ 0.154896 0.747892 0.776408 ] [ 0.821563 0.081226 0.109741 ] [ 0.585441 0.073671 0.443074 ] [ 0.252108 0.407004 0.776408 ] [ 0.918774 0.740337 0.109741 ] [ 0.926329 0.51177 0.443074 ] [ 0.592996 0.845104 0.776408 ] [ 0.259663 0.178437 0.109741 ] [ 0.259663 0.081226 0.609741 ] [ 0.926329 0.414559 0.943074 ] [ 0.592996 0.747892 0.276408 ] [ 0.918774 0.178437 0.609741 ] [ 0.585441 0.51177 0.943074 ] [ 0.252108 0.845104 0.276408 ] [ 0.821563 0.740337 0.609741 ] [ 0.48823 0.073671 0.943074 ] [ 0.154896 0.407004 0.276408 ] [ 0.835975 0.822043 0.758071 ] [ 0.502641 0.155376 0.091404 ] [ 0.169308 0.48871 0.424737 ] [ 0.902224 0.274691 0.393406 ] [ 0.568891 0.608025 0.726739 ] [ 0.235557 0.941358 0.060072 ] [ 0.725309 0.627533 0.393406 ] [ 0.391975 0.960866 0.726739 ] [ 0.058642 0.294199 0.060072 ] [ 0.705801 0.941358 0.560072 ] [ 0.372467 0.274691 0.893406 ] [ 0.039134 0.608025 0.226739 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" "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" 9.85840302707 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }