{ "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" [ [ 0.75 0.245905 0.5 ] [ 0.25 0.754095 0.5 ] [ 0.25 0.76675 0 ] [ 0.75 0.23325 0 ] [ 0.749052 0.748581 0.757635 ] [ 0.750948 0.748581 0.242365 ] [ 0.250948 0.251419 0.242365 ] [ 0.249052 0.251419 0.757635 ] [ 0.75 0.729472 0.5 ] [ 0.25 0.270528 0.5 ] [ 0.536641 0.038804 0.761774 ] [ 0.963359 0.038804 0.238226 ] [ 0.036641 0.961196 0.761774 ] [ 0.463359 0.961196 0.238226 ] [ 0.463101 0.53518 0.79827 ] [ 0.036899 0.53518 0.20173 ] [ 0.25 0.190649 0 ] [ 0.75 0.809351 0 ] [ 0.963101 0.46482 0.79827 ] [ 0.536899 0.46482 0.20173 ] ] } "species" { "source-value" [ "Ba" "Ba" "Y" "Y" "Mn" "Mn" "Mn" "Mn" "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" 5.52575154064 "source-unit" "angstrom" } "b" { "source-value" 5.5623373 "source-unit" "angstrom" } "c" { "source-value" 7.90961374851 "source-unit" "angstrom" } "beta" { "source-value" 90.7451958049 "source-unit" "degree" } }