{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.081385 0.76456 0.585713 ] [ 0.804773 0.744045 0.968172 ] [ 0.581385 0.23544 0.085713 ] [ 0.75 0.708059 0.25 ] [ 0.695227 0.744045 0.531828 ] [ 0.195227 0.255955 0.031828 ] [ 0.918615 0.23544 0.414287 ] [ 0.25 0.291941 0.75 ] [ 0.418615 0.76456 0.914287 ] [ 0.304773 0.255955 0.468172 ] [ 0.590945 0.261616 0.361768 ] [ 0.090945 0.738384 0.861768 ] [ 0.106989 0.76325 0.350298 ] [ 0.409055 0.738384 0.638232 ] [ 0.606989 0.23675 0.850298 ] [ 0.893011 0.23675 0.649702 ] [ 0.393011 0.76325 0.149702 ] [ 0.909055 0.261616 0.138232 ] [ 0.076764 0.753656 0.080028 ] [ 0.423236 0.753656 0.419972 ] [ 0.75 0.747699 0.75 ] [ 0.25 0.252301 0.25 ] [ 0.576764 0.246344 0.580028 ] [ 0.923236 0.246344 0.919972 ] [ 0.891417 0.48849 0.563684 ] [ 0.370474 0.000715 0.054597 ] [ 0.870474 0.999285 0.554597 ] [ 0.391417 0.51151 0.063684 ] [ 0.395424 0.652239 0.757851 ] [ 0.437804 0.172823 0.8445 ] [ 0.800731 0.005777 0.12074 ] [ 0.300731 0.994223 0.62074 ] [ 0.629526 0.999285 0.945403 ] [ 0.937804 0.827177 0.3445 ] [ 0.604576 0.347761 0.242149 ] [ 0.199269 0.994223 0.87926 ] [ 0.699269 0.005777 0.37926 ] [ 0.129526 0.000715 0.445403 ] [ 0.286071 0.513351 0.596893 ] [ 0.608583 0.48849 0.936316 ] [ 0.713929 0.486649 0.403107 ] [ 0.104576 0.652239 0.742149 ] [ 0.108583 0.51151 0.436316 ] [ 0.062196 0.172823 0.6555 ] [ 0.895424 0.347761 0.257851 ] [ 0.562196 0.827177 0.1555 ] [ 0.213929 0.513351 0.903107 ] [ 0.786071 0.486649 0.096893 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "As" "As" "As" "As" "As" "As" "As" "As" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 10.4194911855 "source-unit" "angstrom" } "b" { "source-value" 5.48944211 "source-unit" "angstrom" } "c" { "source-value" 14.1810865552 "source-unit" "angstrom" } "beta" { "source-value" 93.9287308209 "source-unit" "degree" } }