{ "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" [ [ 0.031439 0.019061 0.006739 ] [ 0.738293 0.159814 0.3513 ] [ 0.471707 0.497604 0.486957 ] [ 0.308733 0.840918 0.63916 ] [ 0.640613 0.309627 0.839218 ] [ 0.840015 0.640647 0.310166 ] [ 0.144911 0.150125 0.140043 ] [ 0.354873 0.358221 0.353113 ] [ 0.646999 0.651311 0.648292 ] [ 0.85523 0.851916 0.852128 ] [ 0.051779 0.748351 0.44327 ] [ 0.448914 0.0507 0.74499 ] [ 0.746089 0.44829 0.047743 ] [ 0.245246 0.539115 0.957858 ] [ 0.543624 0.960904 0.24713 ] [ 0.954001 0.244838 0.535612 ] [ 0.133171 0.260879 0.505763 ] [ 0.276922 0.523034 0.120417 ] [ 0.055527 0.923723 0.265971 ] [ 0.548549 0.117265 0.276551 ] [ 0.237433 0.593339 0.434546 ] [ 0.009095 0.805727 0.613025 ] [ 0.264247 0.078965 0.906972 ] [ 0.467809 0.225838 0.575515 ] [ 0.595212 0.437531 0.239791 ] [ 0.170282 0.390489 0.998953 ] [ 0.095013 0.746728 0.906095 ] [ 0.382365 0.013802 0.184812 ] [ 0.615266 0.00172 0.810214 ] [ 0.908285 0.259915 0.070402 ] [ 0.809436 0.613171 0.003203 ] [ 0.412529 0.546785 0.773776 ] [ 0.548243 0.776864 0.414219 ] [ 0.746842 0.904511 0.092629 ] [ 0.965191 0.185489 0.389113 ] [ 0.775213 0.415247 0.555794 ] [ 0.473318 0.891533 0.695938 ] [ 0.90821 0.09237 0.743337 ] [ 0.687666 0.478294 0.894803 ] [ 0.891708 0.694339 0.475443 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Sb" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.65042534 "source-unit" "angstrom" } "b" { "source-value" 8.6832582 "source-unit" "angstrom" } "c" { "source-value" 8.71344358 "source-unit" "angstrom" } "alpha" { "source-value" 60.97238725 "source-unit" "degree" } "beta" { "source-value" 60.83255207 "source-unit" "degree" } "gamma" { "source-value" 61.21500209 "source-unit" "degree" } }