{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.163938 0.5 0.873236 ] [ 0.990981 0 0.991009 ] [ 0.993911 0 0.505436 ] [ 0.827774 0.5 0.401669 ] [ 0.663938 0 0.873236 ] [ 0.490981 0.5 0.991009 ] [ 0.493911 0.5 0.505436 ] [ 0.327774 0 0.401669 ] [ 0.175304 0.5 0.517657 ] [ 0.843125 0.5 0.980393 ] [ 0.675304 0 0.517657 ] [ 0.343125 0 0.980393 ] [ 0.832324 0 0.216702 ] [ 0.917338 0.253584 0.714908 ] [ 0.917338 0.746416 0.714908 ] [ 0.332324 0.5 0.216702 ] [ 0.417338 0.753584 0.714908 ] [ 0.417338 0.246416 0.714908 ] [ 0.084512 0.252049 0.216175 ] [ 0.084512 0.747951 0.216175 ] [ 0.169555 0 0.715003 ] [ 0.584512 0.752049 0.216175 ] [ 0.584512 0.247951 0.216175 ] [ 0.669555 0.5 0.715003 ] [ 0.079114 0.230385 0.602862 ] [ 0.013045 0.5 0.328462 ] [ 0.161667 0.5 0.10387 ] [ 0.004614 0 0.321156 ] [ 0.006845 0 0.814565 ] [ 0.079114 0.769615 0.602862 ] [ 0.240373 0.271868 0.323285 ] [ 0.240373 0.728132 0.323285 ] [ 0.153304 0 0.104411 ] [ 0.847215 0 0.609508 ] [ 0.756267 0.275244 0.830403 ] [ 0.756267 0.724756 0.830403 ] [ 0.826198 0.5 0.60227 ] [ 0.926078 0.231368 0.110191 ] [ 0.983267 0.5 0.826841 ] [ 0.926078 0.768632 0.110191 ] [ 0.579114 0.730385 0.602862 ] [ 0.513045 0 0.328462 ] [ 0.661667 0 0.10387 ] [ 0.504614 0.5 0.321156 ] [ 0.506845 0.5 0.814565 ] [ 0.579114 0.269615 0.602862 ] [ 0.740373 0.771868 0.323285 ] [ 0.740373 0.228132 0.323285 ] [ 0.653304 0.5 0.104411 ] [ 0.347215 0.5 0.609508 ] [ 0.256267 0.775244 0.830403 ] [ 0.256267 0.224756 0.830403 ] [ 0.326198 0 0.60227 ] [ 0.426078 0.731368 0.110191 ] [ 0.483267 0 0.826841 ] [ 0.426078 0.268632 0.110191 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "V" "V" "V" "V" "V" "V" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.70181763 "source-unit" "angstrom" } "b" { "source-value" 6.16503353 "source-unit" "angstrom" } "c" { "source-value" 10.0288087 "source-unit" "angstrom" } "beta" { "source-value" 90.21185736 "source-unit" "degree" } }