{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.644288 0.346995 0.416105 ] [ 0.647502 0.157939 0.905408 ] [ 0.836042 0.645449 0.593117 ] [ 0.606084 0.666971 0.841698 ] [ 0.352498 0.657939 0.094592 ] [ 0.387995 0.336655 0.650184 ] [ 0.612005 0.836655 0.349816 ] [ 0.547791 0.923416 0.035618 ] [ 0.452209 0.423416 0.964382 ] [ 0.355712 0.846995 0.583895 ] [ 0.163958 0.145449 0.406883 ] [ 0.393916 0.166971 0.158302 ] [ 0.092634 0.66125 0.334048 ] [ 0.907366 0.16125 0.665952 ] [ 0.911831 0.338675 0.164288 ] [ 0.088169 0.838675 0.835712 ] [ 0.275931 0.0862 0.782982 ] [ 0.763029 0.102689 0.287397 ] [ 0.291352 0.409448 0.281933 ] [ 0.708648 0.909448 0.718067 ] [ 0.236356 0.904086 0.20655 ] [ 0.763644 0.404086 0.79345 ] [ 0.236971 0.602689 0.712603 ] [ 0.724069 0.5862 0.217018 ] [ 0.726289 0.963237 0.241396 ] [ 0.384138 0.677769 0.678256 ] [ 0.238383 0.555232 0.246661 ] [ 0.110947 0.141895 0.823962 ] [ 0.310411 0.155206 0.632767 ] [ 0.871641 0.83469 0.693106 ] [ 0.187998 0.82815 0.354695 ] [ 0.25557 0.04493 0.2522 ] [ 0.345832 0.355998 0.132177 ] [ 0.615862 0.177769 0.321744 ] [ 0.921652 0.119798 0.446278 ] [ 0.57406 0.896526 0.55481 ] [ 0.176736 0.669159 0.862177 ] [ 0.393387 0.840633 0.167544 ] [ 0.235263 0.939232 0.739592 ] [ 0.574586 0.593935 0.060282 ] [ 0.128359 0.33469 0.306894 ] [ 0.889053 0.641895 0.176038 ] [ 0.823264 0.169159 0.137823 ] [ 0.74443 0.54493 0.7478 ] [ 0.761617 0.055232 0.753339 ] [ 0.654168 0.855998 0.867823 ] [ 0.083876 0.881175 0.049541 ] [ 0.425414 0.093935 0.939718 ] [ 0.606613 0.340633 0.832456 ] [ 0.764737 0.439232 0.260408 ] [ 0.916124 0.381175 0.950459 ] [ 0.689589 0.655206 0.367233 ] [ 0.812002 0.32815 0.645305 ] [ 0.078348 0.619798 0.553722 ] [ 0.42594 0.396526 0.44519 ] [ 0.273711 0.463237 0.758604 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.17245790058 "source-unit" "angstrom" } "b" { "source-value" 10.43005894 "source-unit" "angstrom" } "c" { "source-value" 8.26203082706 "source-unit" "angstrom" } "beta" { "source-value" 104.459549559 "source-unit" "degree" } }