{ "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 0.5 0.5 ] [ 0 0.159668 0.5 ] [ 0 0.840332 0.5 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.659668 0.5 ] [ 0.5 0.340332 0.5 ] [ 0.5 0.5 0 ] [ 0 0.671335 0 ] [ 0 0.328665 0 ] [ 0.5 0.171335 0 ] [ 0.5 0.828665 0 ] [ 0.718205 0 0.227898 ] [ 0.749767 0.181251 0.774392 ] [ 0.749767 0.818749 0.774392 ] [ 0.250233 0.818749 0.225608 ] [ 0.250233 0.181251 0.225608 ] [ 0.281795 0 0.772102 ] [ 0.218205 0.5 0.227898 ] [ 0.249767 0.681251 0.774392 ] [ 0.249767 0.318749 0.774392 ] [ 0.750233 0.318749 0.225608 ] [ 0.750233 0.681251 0.225608 ] [ 0.781795 0.5 0.772102 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "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" 5.08746736 "source-unit" "angstrom" } "b" { "source-value" 8.63819394 "source-unit" "angstrom" } "c" { "source-value" 5.13342509 "source-unit" "angstrom" } "beta" { "source-value" 110.50815177 "source-unit" "degree" } }