{ "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" [ [ 0.242263 0.997703 0.876878 ] [ 0.749848 0.006381 0.629077 ] [ 0.250152 0.993619 0.370923 ] [ 0.757737 0.002297 0.123122 ] [ 0.499596 0.499651 0.751913 ] [ 0 0.5 0.5 ] [ 0.500404 0.500349 0.248087 ] [ 0 0.5 1 ] [ 0.125877 0.276962 0.699385 ] [ 0.872925 0.721619 0.810482 ] [ 0.628101 0.273556 0.443221 ] [ 0.371899 0.726444 0.556779 ] [ 0.127075 0.278381 0.189518 ] [ 0.874123 0.723038 0.300615 ] [ 0.63669 0.276963 0.944509 ] [ 0.36331 0.723037 0.055491 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "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" 5.07330974 "source-unit" "angstrom" } "b" { "source-value" 5.1114177 "source-unit" "angstrom" } "c" { "source-value" 5.86052214 "source-unit" "angstrom" } "alpha" { "source-value" 106.64392506 "source-unit" "degree" } "beta" { "source-value" 90.00831443 "source-unit" "degree" } "gamma" { "source-value" 99.52303911 "source-unit" "degree" } }