{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.505641 0.759649 ] [ 0.25 0.494359 0.240351 ] [ 0.25 0.994359 0.259649 ] [ 0.75 0.005641 0.740351 ] [ 0.75 0.801465 0.030621 ] [ 0.25 0.198535 0.969379 ] [ 0.75 0.301465 0.469379 ] [ 0.25 0.698535 0.530621 ] [ 0.25 0.248999 0.322196 ] [ 0.75 0.551766 0.380542 ] [ 0.25 0.748999 0.177804 ] [ 0.75 0.051766 0.119458 ] [ 0.25 0.948234 0.880542 ] [ 0.75 0.751001 0.677804 ] [ 0.25 0.448234 0.619458 ] [ 0.75 0.251001 0.822196 ] [ 0.25 0.065598 0.613285 ] [ 0.75 0.434402 0.113285 ] [ 0.75 0.934402 0.386715 ] [ 0.25 0.565598 0.886715 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "S" "S" "S" "S" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.88806415 "source-unit" "angstrom" } "b" { "source-value" 9.50640903 "source-unit" "angstrom" } "c" { "source-value" 12.39987864 "source-unit" "angstrom" } }