{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.132903 0.835568 0.094052 ] [ 0.132903 0.164432 0.594052 ] [ 0.867097 0.835568 0.405948 ] [ 0.867097 0.164432 0.905948 ] [ 0.632903 0.335568 0.094052 ] [ 0.632903 0.664432 0.594052 ] [ 0.367097 0.335568 0.405948 ] [ 0.367097 0.664432 0.905948 ] [ 0.175254 0.321017 0.224107 ] [ 0.175254 0.678983 0.724107 ] [ 0.824746 0.321017 0.275893 ] [ 0.824746 0.678983 0.775893 ] [ 0 0.948642 0.75 ] [ 0 0.051358 0.25 ] [ 0.675254 0.821017 0.224107 ] [ 0.675254 0.178983 0.724107 ] [ 0.324746 0.821017 0.275893 ] [ 0.324746 0.178983 0.775893 ] [ 0.5 0.448642 0.75 ] [ 0.5 0.551358 0.25 ] [ 0.02699 0.798696 0.908719 ] [ 0.06531 0.103438 0.736024 ] [ 0.02699 0.201304 0.408719 ] [ 0.123744 0.524921 0.163983 ] [ 0.06531 0.896562 0.236024 ] [ 0.170913 0.245676 0.408009 ] [ 0.139318 0.14836 0.083541 ] [ 0.123744 0.475079 0.663983 ] [ 0.170913 0.754324 0.908009 ] [ 0.139318 0.85164 0.583541 ] [ 0.236471 0.853858 0.256306 ] [ 0.763529 0.853858 0.243694 ] [ 0.236471 0.146142 0.756306 ] [ 0.763529 0.146142 0.743694 ] [ 0.860682 0.14836 0.416459 ] [ 0.829087 0.245676 0.091991 ] [ 0.876256 0.524921 0.336017 ] [ 0.860682 0.85164 0.916459 ] [ 0.829087 0.754324 0.591991 ] [ 0.93469 0.103438 0.763976 ] [ 0.876256 0.475079 0.836017 ] [ 0.97301 0.798696 0.591281 ] [ 0.93469 0.896562 0.263976 ] [ 0.97301 0.201304 0.091281 ] [ 0.52699 0.298696 0.908719 ] [ 0.56531 0.603438 0.736024 ] [ 0.52699 0.701304 0.408719 ] [ 0.623744 0.024921 0.163983 ] [ 0.56531 0.396562 0.236024 ] [ 0.670913 0.745676 0.408009 ] [ 0.639318 0.64836 0.083541 ] [ 0.623744 0.975079 0.663983 ] [ 0.670913 0.254324 0.908009 ] [ 0.639318 0.35164 0.583541 ] [ 0.736471 0.353858 0.256306 ] [ 0.263529 0.353858 0.243694 ] [ 0.736471 0.646142 0.756306 ] [ 0.263529 0.646142 0.743694 ] [ 0.360682 0.64836 0.416459 ] [ 0.329087 0.745676 0.091991 ] [ 0.376256 0.024921 0.336017 ] [ 0.360682 0.35164 0.916459 ] [ 0.329087 0.254324 0.591991 ] [ 0.43469 0.603438 0.763976 ] [ 0.376256 0.975079 0.836017 ] [ 0.47301 0.298696 0.591281 ] [ 0.43469 0.396562 0.263976 ] [ 0.47301 0.701304 0.091281 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "P" "P" "P" "P" "P" "P" "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" "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" 18.03833913 "source-unit" "angstrom" } "b" { "source-value" 6.13050965 "source-unit" "angstrom" } "c" { "source-value" 8.01009771 "source-unit" "angstrom" } "beta" { "source-value" 106.48798838 "source-unit" "degree" } }