{ "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 0 0.5 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.5 0.5 0.5 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0 0 0 ] [ 0.75 0.75 0 ] [ 0 0.5 0 ] [ 0.75 0.25 0 ] [ 0.5 0.5 0 ] [ 0.25 0.25 0 ] [ 0.5 0 0 ] [ 0.25 0.75 0 ] [ 0.751601 0 0.221422 ] [ 0.500379 0.746295 0.21995 ] [ 0.999621 0.246295 0.78005 ] [ 0.724124 0.5 0.206765 ] [ 0.775876 0 0.793235 ] [ 0.500379 0.253705 0.21995 ] [ 0.999621 0.753705 0.78005 ] [ 0.748399 0.5 0.778578 ] [ 0.251601 0.5 0.221422 ] [ 0.000379 0.246295 0.21995 ] [ 0.499621 0.746295 0.78005 ] [ 0.224124 0 0.206765 ] [ 0.275876 0.5 0.793235 ] [ 0.000379 0.753705 0.21995 ] [ 0.499621 0.253705 0.78005 ] [ 0.248399 0 0.778578 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 10.11187797 "source-unit" "angstrom" } "b" { "source-value" 5.57440055 "source-unit" "angstrom" } "c" { "source-value" 5.76925773 "source-unit" "angstrom" } "beta" { "source-value" 124.38685368 "source-unit" "degree" } }