{ "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 0.747383 0.387555 ] [ 0.75 0.252617 0.612445 ] [ 0.25 0.247383 0.112445 ] [ 0.75 0.752617 0.887555 ] [ 0.25 0.522626 0.665374 ] [ 0.75 0.477374 0.334626 ] [ 0.25 0.022626 0.834626 ] [ 0.75 0.977374 0.165374 ] [ 0.75 0.85879 0.573366 ] [ 0.25 0.14121 0.426634 ] [ 0.75 0.35879 0.926634 ] [ 0.25 0.64121 0.073366 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Cl" "Cl" "Cl" "Cl" "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" 4.83301693 "source-unit" "angstrom" } "b" { "source-value" 8.00982496 "source-unit" "angstrom" } "c" { "source-value" 9.55040984 "source-unit" "angstrom" } }