{ "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 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 1 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.960359 0.21529 0.218047 ] [ 0.502805 0.248408 0.782857 ] [ 0.968702 0.745093 0.21942 ] [ 0.475472 0.234781 0.210251 ] [ 0.524528 0.765219 0.789749 ] [ 0.031298 0.254907 0.78058 ] [ 0.497195 0.751592 0.217143 ] [ 0.039641 0.78471 0.781953 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Mn" "Mn" "Co" "Co" "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" 5.75903701 "source-unit" "angstrom" } "b" { "source-value" 5.78277382 "source-unit" "angstrom" } "c" { "source-value" 5.89901683 "source-unit" "angstrom" } "alpha" { "source-value" 90.21210049 "source-unit" "degree" } "beta" { "source-value" 118.79671528 "source-unit" "degree" } "gamma" { "source-value" 119.80839268 "source-unit" "degree" } }