{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.16991 0.179785 0.974287 ] [ 0.222697 0.215936 0.828935 ] [ 0.578626 0.578241 0.772434 ] [ 0.376875 0.360833 0.376011 ] [ 0.976954 0.966576 0.572647 ] [ 0.616863 0.630113 0.627096 ] [ 0.026585 0.038296 0.423317 ] [ 0.425614 0.438639 0.221908 ] [ 0.764747 0.770874 0.175749 ] [ 0.838806 0.818154 0.02647 ] [ 0.700095 0.696334 0.90152 ] [ 0.201155 0.695916 0.902138 ] [ 0.599145 0.100708 0.70039 ] [ 0.099116 0.600263 0.700121 ] [ 0.699034 0.196069 0.902244 ] [ 0.098332 0.100247 0.70071 ] [ 0.999556 0.500886 0.499332 ] [ 0.302091 0.799034 0.099007 ] [ 0.49928 0.000383 0.498761 ] [ 0.900237 0.401003 0.299498 ] [ 0.8001 0.299363 0.098543 ] [ 0.399315 0.90108 0.29894 ] [ 0.090292 0.111943 0.198703 ] [ 0.702536 0.696616 0.399466 ] [ 0.298872 0.295779 0.599334 ] [ 0.507138 0.498154 0.000245 ] [ 0.899864 0.898018 0.801282 ] [ 0.498361 0.499224 0.500188 ] [ 0.899964 0.901227 0.29932 ] [ 0.30334 0.299969 0.097523 ] [ 0.373921 0.812009 0.947864 ] [ 0.813205 0.372836 0.946433 ] [ 0.217931 0.272247 0.744674 ] [ 0.869525 0.81636 0.945319 ] [ 0.581945 0.022906 0.856669 ] [ 0.032254 0.57643 0.855966 ] [ 0.424374 0.983686 0.655758 ] [ 0.035348 0.023551 0.857453 ] [ 0.771641 0.765874 0.745013 ] [ 0.367319 0.372288 0.947465 ] [ 0.771982 0.216473 0.746306 ] [ 0.21894 0.769581 0.745643 ] [ 0.621553 0.156918 0.545862 ] [ 0.349098 0.3344 0.456929 ] [ 0.53031 0.576781 0.857119 ] [ 0.979762 0.929097 0.656402 ] [ 0.978397 0.428345 0.655171 ] [ 0.427098 0.433845 0.655112 ] [ 0.821193 0.844836 0.450224 ] [ 0.837611 0.392095 0.450639 ] [ 0.158143 0.616622 0.546436 ] [ 0.592842 0.537145 0.350823 ] [ 0.175749 0.150854 0.544433 ] [ 0.017169 0.562637 0.347873 ] [ 0.78044 0.242959 0.25165 ] [ 0.649058 0.667286 0.541991 ] [ 0.389563 0.834657 0.44976 ] [ 0.058116 0.063848 0.340733 ] [ 0.464279 0.454028 0.140788 ] [ 0.653278 0.616419 0.052032 ] [ 0.206117 0.265729 0.24783 ] [ 0.228913 0.79872 0.248609 ] [ 0.567495 0.005461 0.349143 ] [ 0.949466 0.98399 0.14865 ] [ 0.959179 0.415883 0.147176 ] [ 0.403797 0.969247 0.148891 ] [ 0.742386 0.737412 0.258031 ] [ 0.138648 0.143133 0.056818 ] [ 0.193347 0.635302 0.051099 ] [ 0.643816 0.180811 0.051029 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 5.9209181 "source-unit" "angstrom" } "b" { "source-value" 5.92041079 "source-unit" "angstrom" } "c" { "source-value" 24.25784082 "source-unit" "angstrom" } "alpha" { "source-value" 83.74175262 "source-unit" "degree" } "beta" { "source-value" 83.34283028 "source-unit" "degree" } "gamma" { "source-value" 60.62098281 "source-unit" "degree" } }