{ "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" [ [ 0.5 1 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 1 0.5 0 ] [ 0.5 0 1 ] [ 0.5 0.5 1 ] [ 0.723498 0.271294 0.198885 ] [ 0.761119 0.232116 0.78692 ] [ 0.756515 0.74167 0.78404 ] [ 0.266495 0.243531 0.794042 ] [ 0.733505 0.756469 0.205958 ] [ 0.243485 0.25833 0.21596 ] [ 0.238881 0.767884 0.21308 ] [ 0.276502 0.728706 0.801115 ] ] } "species" { "source-value" [ "Li" "Li" "Ti" "Cr" "Cr" "Cr" "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" 5.90814983 "source-unit" "angstrom" } "b" { "source-value" 5.91305057 "source-unit" "angstrom" } "c" { "source-value" 5.99756155 "source-unit" "angstrom" } "alpha" { "source-value" 119.42553799 "source-unit" "degree" } "beta" { "source-value" 89.96303372 "source-unit" "degree" } "gamma" { "source-value" 119.89367298 "source-unit" "degree" } }