{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.516772 0.750298 0.069234 ] [ 0.016772 0.749702 0.069234 ] [ 0.766701 0.248756 0.4312 ] [ 0.766701 0.751244 0.4312 ] [ 0.98231 0.5 0.571106 ] [ 0.731691 0 0.926206 ] [ 0.016772 0.250298 0.069234 ] [ 0.516772 0.249702 0.069234 ] [ 0.266701 0.748756 0.4312 ] [ 0.266701 0.251244 0.4312 ] [ 0.48231 0 0.571106 ] [ 0.231691 0.5 0.926206 ] [ 0.98695 0 0.542173 ] [ 0.237539 0 0.95972 ] [ 0.48695 0.5 0.542173 ] [ 0.737539 0.5 0.95972 ] [ 0.575093 0 0.084415 ] [ 0.076483 0 0.088135 ] [ 0.826983 0.5 0.41404 ] [ 0.824637 0 0.413009 ] [ 0.924715 0.751762 0.583155 ] [ 0.924715 0.248238 0.583155 ] [ 0.674699 0.747644 0.917051 ] [ 0.174699 0.752356 0.917051 ] [ 0.075093 0.5 0.084415 ] [ 0.576483 0.5 0.088135 ] [ 0.326983 0 0.41404 ] [ 0.324637 0.5 0.413009 ] [ 0.424715 0.251762 0.583155 ] [ 0.424715 0.748238 0.583155 ] [ 0.174699 0.247644 0.917051 ] [ 0.674699 0.252356 0.917051 ] [ 0.651761 0 0.1443 ] [ 0.152083 0 0.156685 ] [ 0.038843 0.098932 0.23593 ] [ 0.039509 0.600244 0.227401 ] [ 0.539509 0.899756 0.227401 ] [ 0.038843 0.901068 0.23593 ] [ 0.684238 0.749148 0.227898 ] [ 0.184238 0.750852 0.227898 ] [ 0.934295 0.249748 0.27226 ] [ 0.934295 0.750252 0.27226 ] [ 0.790188 0.598936 0.264834 ] [ 0.290188 0.901064 0.264834 ] [ 0.788212 0.100233 0.271528 ] [ 0.788212 0.899767 0.271528 ] [ 0.900633 0 0.351854 ] [ 0.90323 0.5 0.346963 ] [ 0.847853 0.749459 0.642474 ] [ 0.847853 0.250541 0.642474 ] [ 0.460866 0.848426 0.725436 ] [ 0.959695 0.853069 0.722332 ] [ 0.959695 0.146931 0.722332 ] [ 0.960866 0.651574 0.725436 ] [ 0.814219 0 0.72316 ] [ 0.816178 0.5 0.719476 ] [ 0.565028 0 0.774507 ] [ 0.065087 0 0.782789 ] [ 0.210317 0.853482 0.778463 ] [ 0.710335 0.848025 0.774054 ] [ 0.710317 0.646518 0.778463 ] [ 0.710335 0.151975 0.774054 ] [ 0.597857 0.74741 0.857496 ] [ 0.097857 0.75259 0.857496 ] [ 0.151761 0.5 0.1443 ] [ 0.652083 0.5 0.156685 ] [ 0.538843 0.598932 0.23593 ] [ 0.539509 0.100244 0.227401 ] [ 0.039509 0.399756 0.227401 ] [ 0.538843 0.401068 0.23593 ] [ 0.184238 0.249148 0.227898 ] [ 0.684238 0.250852 0.227898 ] [ 0.434295 0.749748 0.27226 ] [ 0.434295 0.250252 0.27226 ] [ 0.290188 0.098936 0.264834 ] [ 0.790188 0.401064 0.264834 ] [ 0.288212 0.600233 0.271528 ] [ 0.288212 0.399767 0.271528 ] [ 0.400633 0.5 0.351854 ] [ 0.40323 0 0.346963 ] [ 0.347853 0.249459 0.642474 ] [ 0.347853 0.750541 0.642474 ] [ 0.960866 0.348426 0.725436 ] [ 0.459695 0.353069 0.722332 ] [ 0.459695 0.646931 0.722332 ] [ 0.460866 0.151574 0.725436 ] [ 0.314219 0.5 0.72316 ] [ 0.316178 0 0.719476 ] [ 0.065028 0.5 0.774507 ] [ 0.565087 0.5 0.782789 ] [ 0.710317 0.353482 0.778463 ] [ 0.210335 0.348025 0.774054 ] [ 0.210317 0.146518 0.778463 ] [ 0.210335 0.651975 0.774054 ] [ 0.097857 0.24741 0.857496 ] [ 0.597857 0.25259 0.857496 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Fe" "Fe" "Fe" "Fe" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 19.68482146 "source-unit" "angstrom" } "b" { "source-value" 12.02433368 "source-unit" "angstrom" } "c" { "source-value" 4.92890139 "source-unit" "angstrom" } "beta" { "source-value" 90.0029724 "source-unit" "degree" } }