{ "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" [ [ 0.251493 0 0.002834 ] [ 0.748507 0 0.997166 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.751493 0.5 0.002834 ] [ 0.248507 0.5 0.997166 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.5 0.751054 0 ] [ 0.5 0.248946 0 ] [ 0 0 0.5 ] [ 0 0.251054 0 ] [ 0 0.748946 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.615054 0 0.235139 ] [ 0.113701 0 0.246761 ] [ 0.112801 0.23454 0.740955 ] [ 0.387199 0.26546 0.259045 ] [ 0.387199 0.73454 0.259045 ] [ 0.384946 0 0.764861 ] [ 0.112801 0.76546 0.740955 ] [ 0.886299 0 0.753239 ] [ 0.115054 0.5 0.235139 ] [ 0.613701 0.5 0.246761 ] [ 0.612801 0.73454 0.740955 ] [ 0.887199 0.76546 0.259045 ] [ 0.887199 0.23454 0.259045 ] [ 0.884946 0.5 0.764861 ] [ 0.612801 0.26546 0.740955 ] [ 0.386299 0.5 0.753239 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 10.23091117 "source-unit" "angstrom" } "b" { "source-value" 5.91730356 "source-unit" "angstrom" } "c" { "source-value" 5.10054374 "source-unit" "angstrom" } "beta" { "source-value" 109.5598827 "source-unit" "degree" } }