{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.916357 0.25257 0.634543 ] [ 0.189567 0.831354 0.881173 ] [ 0.083643 0.74743 0.365457 ] [ 0.810433 0.168646 0.118827 ] [ 0.426117 0.23668 0.745269 ] [ 0.573883 0.76332 0.254731 ] [ 0.31661 0.34801 0.098168 ] [ 0.68339 0.65199 0.901832 ] [ 0.672292 0.835956 0.642325 ] [ 0.327708 0.164044 0.357675 ] [ 0.730905 0.94751 0.335431 ] [ 0.482959 0.222359 0.53733 ] [ 0.286992 0.421896 0.767266 ] [ 0.713008 0.578104 0.232734 ] [ 0.655136 0.059857 0.754575 ] [ 0.33083 0.580748 0.160594 ] [ 0.517041 0.777641 0.46267 ] [ 0.568992 0.703363 0.729452 ] [ 0.344864 0.940142 0.245425 ] [ 0.112861 0.248656 0.024795 ] [ 0.887139 0.751344 0.975205 ] [ 0.880862 0.780682 0.624395 ] [ 0.461406 0.246761 0.972513 ] [ 0.431008 0.296637 0.270548 ] [ 0.269095 0.05249 0.664569 ] [ 0.66917 0.419252 0.839406 ] [ 0.119138 0.219318 0.375605 ] [ 0.538594 0.753239 0.027487 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Mo" "Mo" "As" "As" "As" "As" "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" 7.66609262553 "source-unit" "angstrom" } "b" { "source-value" 7.79360945042 "source-unit" "angstrom" } "c" { "source-value" 9.23294699967 "source-unit" "angstrom" } "alpha" { "source-value" 109.831370085 "source-unit" "degree" } "beta" { "source-value" 102.365236021 "source-unit" "degree" } "gamma" { "source-value" 87.9852616089 "source-unit" "degree" } }