{ "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" [ [ 0.004607 0 0.002211 ] [ 0.907829 0 0.902293 ] [ 0.140263 0 0.647095 ] [ 0.042325 0 0.547788 ] [ 0.943778 0 0.446206 ] [ 0.902156 0.5 0.400101 ] [ 0.850202 0 0.349945 ] [ 0.750212 0 0.250016 ] [ 0.799763 0.5 0.299929 ] [ 0.198491 0 0.199906 ] [ 0.104075 0 0.102603 ] [ 0.14651 0.5 0.150578 ] [ 0.053667 0.5 0.050712 ] [ 0.828369 0 0.077162 ] [ 0.772549 0.5 0.026608 ] [ 0.504607 0.5 0.002211 ] [ 0.407829 0.5 0.902293 ] [ 0.640263 0.5 0.647095 ] [ 0.542325 0.5 0.547788 ] [ 0.443778 0.5 0.446206 ] [ 0.402156 0 0.400101 ] [ 0.350202 0.5 0.349945 ] [ 0.250212 0.5 0.250016 ] [ 0.299763 0 0.299929 ] [ 0.698491 0.5 0.199906 ] [ 0.604075 0.5 0.102603 ] [ 0.64651 0 0.150578 ] [ 0.553667 0 0.050712 ] [ 0.328369 0.5 0.077162 ] [ 0.272549 0 0.026608 ] [ 0.949598 0.5 0.950744 ] [ 0.85375 0.5 0.85345 ] [ 0.805027 0 0.800865 ] [ 0.196756 0.5 0.696353 ] [ 0.244416 0 0.749042 ] [ 0.101183 0.5 0.598981 ] [ 0.001739 0.5 0.498937 ] [ 0.449598 0 0.950744 ] [ 0.35375 0 0.85345 ] [ 0.305027 0.5 0.800865 ] [ 0.696756 0 0.696353 ] [ 0.744416 0.5 0.749042 ] [ 0.601183 0 0.598981 ] [ 0.501739 0 0.498937 ] [ 0.86529 0.5 0.987531 ] [ 0.810723 0 0.937868 ] [ 0.086378 0 0.962331 ] [ 0.76368 0.5 0.88815 ] [ 0.03268 0.5 0.910876 ] [ 0.211322 0.5 0.838113 ] [ 0.989314 0 0.862648 ] [ 0.160455 0 0.786513 ] [ 0.946807 0.5 0.813037 ] [ 0.103293 0.5 0.737231 ] [ 0.888688 0 0.763412 ] [ 0.061194 0 0.687497 ] [ 0.83918 0.5 0.711876 ] [ 0.017657 0.5 0.639431 ] [ 0.787064 0 0.662002 ] [ 0.963049 0 0.588544 ] [ 0.240413 0 0.612145 ] [ 0.918699 0.5 0.53918 ] [ 0.18465 0.5 0.562848 ] [ 0.863973 0 0.487724 ] [ 0.140157 0 0.512088 ] [ 0.823286 0.5 0.435957 ] [ 0.084699 0.5 0.462579 ] [ 0.773772 0 0.385709 ] [ 0.030554 0 0.410969 ] [ 0.223908 0 0.336308 ] [ 0.974883 0.5 0.363383 ] [ 0.174116 0.5 0.286157 ] [ 0.925612 0 0.313925 ] [ 0.124395 0 0.236169 ] [ 0.876531 0.5 0.263659 ] [ 0.071748 0.5 0.188201 ] [ 0.825904 0 0.213763 ] [ 0.025069 0 0.138423 ] [ 0.774217 0.5 0.163886 ] [ 0.962558 0.5 0.08504 ] [ 0.229963 0.5 0.111322 ] [ 0.904594 0 0.036109 ] [ 0.188537 0 0.062493 ] [ 0.133724 0.5 0.013378 ] [ 0.36529 0 0.987531 ] [ 0.310723 0.5 0.937868 ] [ 0.586378 0.5 0.962331 ] [ 0.26368 0 0.88815 ] [ 0.53268 0 0.910876 ] [ 0.711322 0 0.838113 ] [ 0.489314 0.5 0.862648 ] [ 0.660455 0.5 0.786513 ] [ 0.446807 0 0.813037 ] [ 0.603293 0 0.737231 ] [ 0.388688 0.5 0.763412 ] [ 0.561194 0.5 0.687497 ] [ 0.33918 0 0.711876 ] [ 0.517657 0 0.639431 ] [ 0.287064 0.5 0.662002 ] [ 0.463049 0.5 0.588544 ] [ 0.740413 0.5 0.612145 ] [ 0.418699 0 0.53918 ] [ 0.68465 0 0.562848 ] [ 0.363973 0.5 0.487724 ] [ 0.640157 0.5 0.512088 ] [ 0.323286 0 0.435957 ] [ 0.584699 0 0.462579 ] [ 0.273772 0.5 0.385709 ] [ 0.530554 0.5 0.410969 ] [ 0.723908 0.5 0.336308 ] [ 0.474883 0 0.363383 ] [ 0.674116 0 0.286157 ] [ 0.425612 0.5 0.313925 ] [ 0.624395 0.5 0.236169 ] [ 0.376531 0 0.263659 ] [ 0.571748 0 0.188201 ] [ 0.325904 0.5 0.213763 ] [ 0.525069 0.5 0.138423 ] [ 0.274217 0 0.163886 ] [ 0.462558 0 0.08504 ] [ 0.729963 0 0.111322 ] [ 0.404594 0.5 0.036109 ] [ 0.688537 0.5 0.062493 ] [ 0.633724 0 0.013378 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 14.53735164 "source-unit" "angstrom" } "b" { "source-value" 4.55171604 "source-unit" "angstrom" } "c" { "source-value" 73.68613541 "source-unit" "angstrom" } "beta" { "source-value" 90.40231476 "source-unit" "degree" } }