{ "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 0.739818 0.564492 ] [ 0.25 0.260182 0.435508 ] [ 0.75 0.239818 0.935508 ] [ 0.25 0.760182 0.064492 ] [ 0.75 0.853538 0.857547 ] [ 0.25 0.146462 0.142453 ] [ 0.75 0.353538 0.642453 ] [ 0.25 0.646462 0.357547 ] [ 0.75 0.183509 0.24448 ] [ 0.25 0.816491 0.75552 ] [ 0.75 0.683509 0.25552 ] [ 0.25 0.316491 0.74448 ] [ 0.75 0.438387 0.404241 ] [ 0.25 0.561613 0.595759 ] [ 0.75 0.938387 0.095759 ] [ 0.25 0.061613 0.904241 ] [ 0.75 0.098542 0.483375 ] [ 0.25 0.901458 0.516625 ] [ 0.75 0.598542 0.016625 ] [ 0.25 0.401458 0.983375 ] [ 0.994333 0.564672 0.809044 ] [ 0.494333 0.435328 0.190956 ] [ 0.505667 0.064672 0.690956 ] [ 0.005667 0.935328 0.309044 ] [ 0.005667 0.435328 0.190956 ] [ 0.505667 0.564672 0.809044 ] [ 0.494333 0.935328 0.309044 ] [ 0.994333 0.064672 0.690956 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.03038806 "source-unit" "angstrom" } "b" { "source-value" 8.05754246 "source-unit" "angstrom" } "c" { "source-value" 10.10427509 "source-unit" "angstrom" } }