{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P31c" } "basis-atom-coordinates" { "source-value" [ [ 0.097777 0.583561 0.167282 ] [ 0.485784 0.902223 0.167282 ] [ 0.910162 0.164935 0.956173 ] [ 0.583561 0.097777 0.667282 ] [ 0.089838 0.254773 0.456173 ] [ 0.164935 0.910162 0.456173 ] [ 0.416439 0.514216 0.167282 ] [ 0.745227 0.835065 0.456173 ] [ 0.902223 0.485784 0.667282 ] [ 0.514216 0.416439 0.667282 ] [ 0.835065 0.745227 0.956173 ] [ 0.254773 0.089838 0.956173 ] [ 0.350247 0.369769 0.427817 ] [ 0.019522 0.649753 0.427817 ] [ 0.369769 0.350247 0.927817 ] [ 0.630231 0.980478 0.427817 ] [ 0 0 0.957042 ] [ 0.972669 0.303478 0.691837 ] [ 0 0 0.457042 ] [ 0.666667 0.333333 0.109329 ] [ 0.669191 0.696522 0.191837 ] [ 0.649753 0.019522 0.927817 ] [ 0.980478 0.630231 0.927817 ] [ 0.333333 0.666667 0.609329 ] [ 0.027331 0.330809 0.191837 ] [ 0.330809 0.027331 0.691837 ] [ 0.696522 0.669191 0.691837 ] [ 0.303478 0.972669 0.191837 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.71131367548 "source-unit" "angstrom" } "c" { "source-value" 5.63373322 "source-unit" "angstrom" } }