{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.335736 0.5 0.680634 ] [ 0.164264 0 0.319366 ] [ 0.835736 0 0.680634 ] [ 0.664264 0.5 0.319366 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.335988 0.5 0.16251 ] [ 0.164012 0 0.83749 ] [ 0.835988 0 0.16251 ] [ 0.664012 0.5 0.83749 ] [ 0.16405 0.5 0.599782 ] [ 0.99498 0 0.278595 ] [ 0.321657 0 0.927363 ] [ 0.00502 0 0.721405 ] [ 0.33595 0 0.400218 ] [ 0.178343 0.5 0.072637 ] [ 0.66405 0 0.599782 ] [ 0.49498 0.5 0.278595 ] [ 0.821657 0.5 0.927363 ] [ 0.50502 0.5 0.721405 ] [ 0.83595 0.5 0.400218 ] [ 0.678343 0 0.072637 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Cu" "Cu" "Cu" "Cu" "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" 12.88496148 "source-unit" "angstrom" } "b" { "source-value" 2.96541435 "source-unit" "angstrom" } "c" { "source-value" 5.96854585 "source-unit" "angstrom" } "beta" { "source-value" 104.71632268 "source-unit" "degree" } }