{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.99404 0.4154 0.081492 ] [ 0.085615 0.084904 0.577778 ] [ 0.115128 0.223762 0.405755 ] [ 0.740988 0.331626 0.768299 ] [ 0.568395 0.065838 0.794971 ] [ 0.467966 0.401381 0.285089 ] [ 0.040623 0.761997 0.32247 ] [ 0.313598 0.972413 0.47785 ] [ 0.126598 0.570152 0.664292 ] [ 0.808932 0.821835 0.856556 ] [ 0.957525 0.098352 0.8098 ] [ 0.002212 0.581931 0.927706 ] [ 0.421298 0.940396 0.216028 ] [ 0.864019 0.484022 0.345924 ] [ 0.160095 0.409051 0.834424 ] [ 0.53333 0.728162 0.54022 ] [ 0.911166 0.776442 0.590339 ] [ 0.845412 0.139335 0.094795 ] [ 0.692461 0.013218 0.519386 ] [ 0.296481 0.853117 0.633314 ] [ 0.670955 0.718767 0.294574 ] [ 0.24635 0.511975 0.393975 ] [ 0.369546 0.306244 0.7265 ] [ 0.593821 0.390377 0.032175 ] [ 0.722127 0.477959 0.59991 ] [ 0.196606 0.880555 0.896918 ] [ 0.633704 0.242169 0.189477 ] [ 0.890946 0.327411 0.517746 ] [ 0.238448 0.184955 0.120358 ] [ 0.829382 0.999354 0.259895 ] [ 0.786351 0.67643 0.021013 ] [ 0.50469 0.595752 0.708441 ] [ 0.408081 0.636934 0.993225 ] [ 0.493788 0.247516 0.446651 ] [ 0.272583 0.639259 0.231684 ] [ 0.561286 0.921499 0.951373 ] [ 0.830187 0.569072 0.176652 ] [ 0.193128 0.299498 0.979094 ] [ 0.146943 0.987858 0.74013 ] [ 0.783384 0.239722 0.936319 ] [ 0.258627 0.07493 0.302537 ] [ 0.210436 0.759906 0.072366 ] [ 0.043142 0.324474 0.248026 ] [ 0.524108 0.158215 0.620886 ] [ 0.474902 0.830597 0.376735 ] [ 0.309498 0.408353 0.559393 ] [ 0.735369 0.915621 0.691801 ] [ 0.930299 0.229172 0.676532 ] [ 0.090516 0.658569 0.489543 ] [ 0.374469 0.183769 0.880598 ] [ 0.409971 0.066181 0.039201 ] [ 0.68636 0.587354 0.442173 ] [ 0.885197 0.899334 0.429977 ] [ 0.948282 0.673879 0.757454 ] [ 0.621104 0.819723 0.11878 ] [ 0.350627 0.740955 0.802941 ] [ 0.674045 0.140081 0.357897 ] [ 0.424662 0.504642 0.128892 ] [ 0.573496 0.49402 0.870225 ] [ 0.039701 0.883587 0.173446 ] ] } "species" { "source-value" [ "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.7680738848 "source-unit" "angstrom" } "b" { "source-value" 12.210420647 "source-unit" "angstrom" } "c" { "source-value" 13.5757892143 "source-unit" "angstrom" } "alpha" { "source-value" 108.893360365 "source-unit" "degree" } "beta" { "source-value" 104.241407641 "source-unit" "degree" } "gamma" { "source-value" 97.1360134106 "source-unit" "degree" } }