{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.061983 0.870316 ] [ 0.75 0.438017 0.370316 ] [ 0.25 0.561983 0.629684 ] [ 0.75 0.938017 0.129684 ] [ 0.25 0.276881 0.748828 ] [ 0.75 0.223119 0.248828 ] [ 0.25 0.776881 0.751172 ] [ 0.75 0.723119 0.251172 ] [ 0.25 0.355496 0.989481 ] [ 0.75 0.144504 0.489481 ] [ 0.25 0.855496 0.510519 ] [ 0.75 0.644504 0.010519 ] [ 0.25 0.456031 0.149537 ] [ 0.75 0.043969 0.649537 ] [ 0.25 0.956031 0.350463 ] [ 0.75 0.543969 0.850463 ] [ 0.25 0.572453 0.471193 ] [ 0.75 0.927547 0.971193 ] [ 0.25 0.072453 0.028807 ] [ 0.75 0.427547 0.528807 ] [ 0.25 0.032364 0.23183 ] [ 0.75 0.467636 0.73183 ] [ 0.25 0.532364 0.26817 ] [ 0.75 0.967636 0.76817 ] [ 0.25 0.213717 0.623029 ] [ 0.75 0.286283 0.123029 ] [ 0.25 0.713717 0.876971 ] [ 0.75 0.786283 0.376971 ] [ 0.25 0.202668 0.408143 ] [ 0.75 0.297332 0.908143 ] [ 0.25 0.702668 0.091857 ] [ 0.75 0.797332 0.591857 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.44551671 "source-unit" "angstrom" } "b" { "source-value" 10.17618034 "source-unit" "angstrom" } "c" { "source-value" 23.2842415 "source-unit" "angstrom" } }