{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.651438 ] [ 0.666667 0.333333 0.681895 ] [ 0.666667 0.333333 0.984771 ] [ 0.333333 0.666667 0.015229 ] [ 0.333333 0.666667 0.318105 ] [ 0 0 0.348562 ] [ 0 0 0.775837 ] [ 0.333333 0.666667 0.89083 ] [ 0.666667 0.333333 0.10917 ] [ 0 0 0.224163 ] [ 0.333333 0.666667 0.442504 ] [ 0.666667 0.333333 0.557496 ] [ 0 0 0.924331 ] [ 0.333333 0.666667 0.742336 ] [ 0.666667 0.333333 0.257664 ] [ 0 0 0.075669 ] [ 0.333333 0.666667 0.590997 ] [ 0.666667 0.333333 0.409003 ] [ 0.282834 0.306322 0.944366 ] [ 0.309845 0.949501 0.722301 ] [ 0.050499 0.360344 0.722301 ] [ 0.333333 0.666667 0.80698 ] [ 0.693678 0.976512 0.944366 ] [ 0.023488 0.717166 0.944366 ] [ 0.639656 0.690155 0.722301 ] [ 0 0 0.859687 ] [ 0.949501 0.639656 0.277699 ] [ 0.976512 0.282834 0.055634 ] [ 0.717166 0.693678 0.055634 ] [ 0 0 0.140313 ] [ 0.360344 0.309845 0.277699 ] [ 0.690155 0.050499 0.277699 ] [ 0.306322 0.023488 0.055634 ] [ 0.666667 0.333333 0.19302 ] [ 0.616168 0.972989 0.611032 ] [ 0.643179 0.616168 0.388968 ] [ 0.383832 0.027011 0.388968 ] [ 0.666667 0.333333 0.473646 ] [ 0.027011 0.643179 0.611032 ] [ 0.356821 0.383832 0.611032 ] [ 0.972989 0.356821 0.388968 ] [ 0.333333 0.666667 0.526354 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.02228544 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }