{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.259986 0.75 0.077386 ] [ 0.778322 0.970901 0.261866 ] [ 0.778322 0.529099 0.261866 ] [ 0.221678 0.470901 0.738134 ] [ 0.221678 0.029099 0.738134 ] [ 0.740014 0.25 0.922614 ] [ 0.228826 0.25 0.338646 ] [ 0.771174 0.75 0.661354 ] [ 0.291909 0.75 0.409931 ] [ 0.708091 0.25 0.590069 ] [ 0.2784 0.25 0.031279 ] [ 0.7216 0.75 0.968721 ] [ 0.666037 0.75 0.113716 ] [ 0.035103 0.25 0.074708 ] [ 0.474892 0.25 0.132699 ] [ 0.180499 0.943864 0.298549 ] [ 0.180499 0.556136 0.298549 ] [ 0.636655 0.75 0.423325 ] [ 0.804635 0.25 0.402467 ] [ 0.195365 0.75 0.597533 ] [ 0.363345 0.25 0.576675 ] [ 0.819501 0.443864 0.701451 ] [ 0.819501 0.056136 0.701451 ] [ 0.525108 0.75 0.867301 ] [ 0.964897 0.75 0.925292 ] [ 0.333963 0.25 0.886284 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "As" "As" "C" "C" "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" 5.03340424 "source-unit" "angstrom" } "b" { "source-value" 6.80668582 "source-unit" "angstrom" } "c" { "source-value" 8.71613102 "source-unit" "angstrom" } "beta" { "source-value" 92.11967702 "source-unit" "degree" } }