{ "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" [ [ 0.25 0.77515 0.498354 ] [ 0.75 0.22485 0.501646 ] [ 0.25 0.27515 0.001646 ] [ 0.75 0.72485 0.998354 ] [ 0.25 0.517274 0.741991 ] [ 0.75 0.482726 0.258009 ] [ 0.25 0.017274 0.758009 ] [ 0.75 0.982726 0.241991 ] [ 0.75 0.761523 0.719265 ] [ 0.25 0.738477 0.219265 ] [ 0.75 0.261523 0.780735 ] [ 0.25 0.238477 0.280735 ] [ 0.25 0.762973 0.821219 ] [ 0.75 0.237027 0.178781 ] [ 0.25 0.262973 0.678781 ] [ 0.75 0.737027 0.321219 ] [ 0.25 0.907535 0.104881 ] [ 0.75 0.592465 0.604881 ] [ 0.25 0.407535 0.395119 ] [ 0.75 0.092465 0.895119 ] [ 0.75 0.945333 0.616588 ] [ 0.25 0.054667 0.383412 ] [ 0.75 0.445333 0.883412 ] [ 0.25 0.554667 0.116588 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "La" "La" "La" "La" "Cu" "Cu" "Cu" "Cu" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.55027879 "source-unit" "angstrom" } "b" { "source-value" 11.98632433 "source-unit" "angstrom" } "c" { "source-value" 15.00676332 "source-unit" "angstrom" } }