{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.250898 0.874897 0.254632 ] [ 0.249102 0.374897 0.245368 ] [ 0.250898 0.125103 0.754632 ] [ 0.249102 0.625103 0.745368 ] [ 0.750898 0.374897 0.254632 ] [ 0.749102 0.874897 0.245368 ] [ 0.750898 0.625103 0.754632 ] [ 0.749102 0.125103 0.745368 ] [ 0.5 0.62695 0.25 ] [ 0 0.87305 0.75 ] [ 0 0.12695 0.25 ] [ 0.5 0.37305 0.75 ] [ 0.5 0.123888 0.25 ] [ 0.5 0.876112 0.75 ] [ 0 0.623888 0.25 ] [ 0 0.376112 0.75 ] [ 0.111033 0.379028 0.49368 ] [ 0.112423 0.871561 0.488422 ] [ 0.112423 0.128439 0.988422 ] [ 0.388967 0.120972 0.50632 ] [ 0.387577 0.628439 0.511578 ] [ 0.388967 0.879028 0.00632 ] [ 0.111033 0.620972 0.99368 ] [ 0.387577 0.371561 0.011578 ] [ 0.611033 0.879028 0.49368 ] [ 0.612423 0.371561 0.488422 ] [ 0.612423 0.628439 0.988422 ] [ 0.888967 0.620972 0.50632 ] [ 0.887577 0.128439 0.511578 ] [ 0.888967 0.379028 0.00632 ] [ 0.611033 0.120972 0.99368 ] [ 0.887577 0.871561 0.011578 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Fe" "Fe" "Fe" "Fe" "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" 10.19410991 "source-unit" "angstrom" } "b" { "source-value" 5.85261298 "source-unit" "angstrom" } "c" { "source-value" 5.06018409 "source-unit" "angstrom" } "beta" { "source-value" 109.16452315 "source-unit" "degree" } }