{ "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" [ [ 0.328417 0 0.900798 ] [ 0.992001 0 0.005812 ] [ 0.990691 0 0.490653 ] [ 0.663071 0 0.368983 ] [ 0.828417 0.5 0.900798 ] [ 0.492001 0.5 0.005812 ] [ 0.490691 0.5 0.490653 ] [ 0.163071 0.5 0.368983 ] [ 0.345944 0 0.479649 ] [ 0.673863 0 0.016693 ] [ 0.845944 0.5 0.479649 ] [ 0.173863 0.5 0.016693 ] [ 0.916327 0.74751 0.214916 ] [ 0.916327 0.25249 0.214916 ] [ 0.8325 0 0.716616 ] [ 0.416327 0.24751 0.214916 ] [ 0.416327 0.75249 0.214916 ] [ 0.3325 0.5 0.716616 ] [ 0.169311 0 0.215622 ] [ 0.085085 0.747708 0.716502 ] [ 0.085085 0.252292 0.716502 ] [ 0.669311 0.5 0.215622 ] [ 0.585085 0.247708 0.716502 ] [ 0.585085 0.752292 0.716502 ] [ 0.927333 0.767388 0.608799 ] [ 0.483962 0 0.327106 ] [ 0.331797 0 0.106036 ] [ 0.001335 0 0.313188 ] [ 0.000654 0 0.819865 ] [ 0.927333 0.232612 0.608799 ] [ 0.254994 0.224773 0.330534 ] [ 0.254994 0.775227 0.330534 ] [ 0.845774 0 0.108003 ] [ 0.154652 0 0.605232 ] [ 0.739556 0.228862 0.826099 ] [ 0.739556 0.771138 0.826099 ] [ 0.666611 0 0.605746 ] [ 0.080226 0.772414 0.103342 ] [ 0.512059 0 0.827451 ] [ 0.080226 0.227586 0.103342 ] [ 0.427333 0.267388 0.608799 ] [ 0.983962 0.5 0.327106 ] [ 0.831797 0.5 0.106036 ] [ 0.501335 0.5 0.313188 ] [ 0.500654 0.5 0.819865 ] [ 0.427333 0.732612 0.608799 ] [ 0.754994 0.724773 0.330534 ] [ 0.754994 0.275227 0.330534 ] [ 0.345774 0.5 0.108003 ] [ 0.654652 0.5 0.605232 ] [ 0.239556 0.728862 0.826099 ] [ 0.239556 0.271138 0.826099 ] [ 0.166611 0.5 0.605746 ] [ 0.580226 0.272414 0.103342 ] [ 0.012059 0.5 0.827451 ] [ 0.580226 0.727586 0.103342 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 10.56789135 "source-unit" "angstrom" } "b" { "source-value" 6.1473671 "source-unit" "angstrom" } "c" { "source-value" 10.01914773 "source-unit" "angstrom" } "beta" { "source-value" 90.10544539 "source-unit" "degree" } }