{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.059578 0.70218 0.861052 ] [ 0.940422 0.20218 0.638948 ] [ 0.940422 0.29782 0.138948 ] [ 0.059578 0.79782 0.361052 ] [ 0.529003 0.373691 0.325324 ] [ 0.470997 0.873691 0.174676 ] [ 0.470997 0.626309 0.674676 ] [ 0.529003 0.126309 0.825324 ] [ 0.322081 0.385117 0.00505 ] [ 0.677919 0.885117 0.49495 ] [ 0.677919 0.614883 0.99495 ] [ 0.322081 0.114883 0.50505 ] [ 0.110492 0.054861 0.973846 ] [ 0.889508 0.554861 0.526154 ] [ 0.889508 0.945139 0.026154 ] [ 0.110492 0.445139 0.473846 ] [ 0.207369 0.929628 0.625904 ] [ 0.792631 0.429628 0.874096 ] [ 0.792631 0.070372 0.374096 ] [ 0.207369 0.570372 0.125904 ] [ 0.247404 0.395502 0.791998 ] [ 0.752596 0.895502 0.708002 ] [ 0.752596 0.604498 0.208002 ] [ 0.247404 0.104498 0.291998 ] [ 0.554825 0.211956 0.08742 ] [ 0.445175 0.711956 0.41258 ] [ 0.445175 0.788044 0.91258 ] [ 0.554825 0.288044 0.58742 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.76117954601 "source-unit" "angstrom" } "b" { "source-value" 7.57246168 "source-unit" "angstrom" } "c" { "source-value" 10.8972301899 "source-unit" "angstrom" } "beta" { "source-value" 104.514015501 "source-unit" "degree" } }