{ "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 0 0 ] [ 1 0.5 0.5 ] [ 0.002314 0.662709 0.832904 ] [ 0.997686 0.337291 0.167096 ] [ 0 0 0.5 ] [ 0.5 0.5 1 ] [ 0.502485 0.168171 0.336612 ] [ 0.497515 0.831829 0.663388 ] [ 0.761526 0.638936 0.057945 ] [ 0.273362 0.787473 0.904251 ] [ 0.748712 0.52722 0.772966 ] [ 0.726638 0.212527 0.095749 ] [ 0.214529 0.694482 0.59999 ] [ 0.238474 0.361064 0.942055 ] [ 0.785471 0.305518 0.40001 ] [ 0.77937 0.960799 0.737667 ] [ 0.251288 0.47278 0.227034 ] [ 0.24722 0.140027 0.564142 ] [ 0.75278 0.859973 0.435858 ] [ 0.22063 0.039201 0.262333 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "Mn" "Fe" "Fe" "Fe" "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" 5.10997589 "source-unit" "angstrom" } "b" { "source-value" 6.06183407 "source-unit" "angstrom" } "c" { "source-value" 7.98117708 "source-unit" "angstrom" } "alpha" { "source-value" 76.07642203 "source-unit" "degree" } "beta" { "source-value" 77.45674092 "source-unit" "degree" } "gamma" { "source-value" 73.38974247 "source-unit" "degree" } }