{ "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" [ [ 0.743381 0.755116 0.809993 ] [ 0.618713 0.227233 0.42573 ] [ 0.256594 0.27475 0.699379 ] [ 0.379996 0.777546 0.085988 ] [ 0 0 0.5 ] [ 0.620004 0.222454 0.914012 ] [ 0.743406 0.72525 0.300621 ] [ 0.381287 0.772767 0.57427 ] [ 0.256619 0.244884 0.190007 ] [ 0.108463 0.794376 0.845127 ] [ 0.328045 0.540194 0.613242 ] [ 0.284517 0.971904 0.24161 ] [ 0.344369 0.294544 0.478859 ] [ 0.888822 0.199231 0.654676 ] [ 0.641427 0.467294 0.857276 ] [ 0.736976 0.047904 0.277198 ] [ 0.360523 0.298789 0.982247 ] [ 0.639477 0.701211 0.017753 ] [ 0.263024 0.952096 0.722802 ] [ 0.358573 0.532706 0.142724 ] [ 0.111178 0.800769 0.345324 ] [ 0.655631 0.705456 0.521141 ] [ 0.715483 0.028096 0.75839 ] [ 0.671955 0.459806 0.386758 ] [ 0.891537 0.205624 0.154873 ] [ 0.991336 0.815504 0.892327 ] [ 0.275485 0.833676 0.944049 ] [ 0.041291 0.650602 0.757266 ] [ 0.47272 0.685263 0.691202 ] [ 0.777754 0.41523 0.482162 ] [ 0.731645 0.787137 0.962878 ] [ 0.478699 0.709057 0.996444 ] [ 0.232966 0.058367 0.168029 ] [ 0.259914 0.463554 0.682325 ] [ 0.401046 0.453661 0.54966 ] [ 0.973602 0.336825 0.747714 ] [ 0.737282 0.181336 0.342493 ] [ 0.704481 0.563635 0.796029 ] [ 0.586399 0.544132 0.944369 ] [ 0.246294 0.265218 0.345762 ] [ 0.452225 0.046849 0.348157 ] [ 0.727991 0.166693 0.549976 ] [ 0.863912 0.094618 0.224225 ] [ 0.575876 0.947651 0.177122 ] [ 0.00985 0.166596 0.605951 ] [ 0.236336 0.215048 0.530185 ] [ 0.502135 0.275443 0.512314 ] [ 0.266848 0.836403 0.16578 ] [ 0.250166 0.268356 0.849978 ] [ 0.487096 0.335947 0.768275 ] [ 0.755254 0.411351 0.928666 ] [ 0.844806 0.073312 0.7051 ] [ 0.808583 0.97415 0.361763 ] [ 0.191417 0.02585 0.638237 ] [ 0.155194 0.926688 0.2949 ] [ 0.244746 0.588649 0.071334 ] [ 0.512904 0.664053 0.231725 ] [ 0.749834 0.731644 0.150022 ] [ 0.733152 0.163597 0.83422 ] [ 0.497865 0.724557 0.487686 ] [ 0.763664 0.784952 0.469815 ] [ 0.99015 0.833404 0.394049 ] [ 0.424124 0.052349 0.822878 ] [ 0.136088 0.905382 0.775775 ] [ 0.272009 0.833307 0.450024 ] [ 0.547775 0.953151 0.651843 ] [ 0.753706 0.734782 0.654238 ] [ 0.413601 0.455868 0.055631 ] [ 0.295519 0.436365 0.203971 ] [ 0.262718 0.818664 0.657507 ] [ 0.026398 0.663175 0.252286 ] [ 0.598954 0.546339 0.45034 ] [ 0.740086 0.536446 0.317675 ] [ 0.767034 0.941633 0.831971 ] [ 0.521301 0.290943 0.003556 ] [ 0.268355 0.212863 0.037122 ] [ 0.222246 0.58477 0.517838 ] [ 0.52728 0.314737 0.308798 ] [ 0.958709 0.349398 0.242734 ] [ 0.724515 0.166324 0.055951 ] [ 0.008664 0.184496 0.107673 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.74426617 "source-unit" "angstrom" } "b" { "source-value" 10.94162708 "source-unit" "angstrom" } "c" { "source-value" 12.62267701 "source-unit" "angstrom" } "alpha" { "source-value" 100.77173155 "source-unit" "degree" } "beta" { "source-value" 110.66562955 "source-unit" "degree" } "gamma" { "source-value" 108.15083134 "source-unit" "degree" } }