{ "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 0.637127 ] [ 0.666667 0.333333 0.696207 ] [ 0.666667 0.333333 0.97046 ] [ 0.333333 0.666667 0.02954 ] [ 0.333333 0.666667 0.303793 ] [ 0 0 0.362873 ] [ 0 0 0.770229 ] [ 0.333333 0.666667 0.896438 ] [ 0.666667 0.333333 0.103562 ] [ 0 0 0.229771 ] [ 0.333333 0.666667 0.436896 ] [ 0.666667 0.333333 0.563104 ] [ 0 0 0.917667 ] [ 0.333333 0.666667 0.749 ] [ 0.666667 0.333333 0.251 ] [ 0 0 0.082333 ] [ 0.333333 0.666667 0.584334 ] [ 0.666667 0.333333 0.415666 ] [ 0.699415 0.979707 0.939884 ] [ 0.053041 0.366082 0.726783 ] [ 0.633918 0.68696 0.726783 ] [ 0.333333 0.666667 0.814436 ] [ 0.020293 0.719708 0.939884 ] [ 0.280292 0.300585 0.939884 ] [ 0.31304 0.946959 0.726783 ] [ 0 0 0.852231 ] [ 0.366082 0.31304 0.273217 ] [ 0.719708 0.699415 0.060116 ] [ 0.300585 0.020293 0.060116 ] [ 0 0 0.147769 ] [ 0.68696 0.053041 0.273217 ] [ 0.946959 0.633918 0.273217 ] [ 0.979707 0.280292 0.060116 ] [ 0.666667 0.333333 0.185564 ] [ 0.032748 0.646374 0.60655 ] [ 0.386375 0.032748 0.39345 ] [ 0.967252 0.353626 0.39345 ] [ 0.666667 0.333333 0.481103 ] [ 0.353626 0.386375 0.60655 ] [ 0.613625 0.967252 0.60655 ] [ 0.646374 0.613625 0.39345 ] [ 0.333333 0.666667 0.518897 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Co" "Co" "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" 5.07238289 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }