{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.343455 0 0.696582 ] [ 0.656545 0 0.303418 ] [ 0.843455 0.5 0.696582 ] [ 0.156545 0.5 0.303418 ] [ 0.048318 0.103412 0.901227 ] [ 0.951682 0.896588 0.098773 ] [ 0.951682 0.103412 0.098773 ] [ 0.048318 0.896588 0.901227 ] [ 0.548318 0.603412 0.901227 ] [ 0.451682 0.396588 0.098773 ] [ 0.451682 0.603412 0.098773 ] [ 0.548318 0.396588 0.901227 ] [ 0.106585 0.229485 0.785374 ] [ 0.106585 0.770515 0.785374 ] [ 0.893415 0.229485 0.214626 ] [ 0.893415 0.770515 0.214626 ] [ 0.606585 0.729485 0.785374 ] [ 0.606585 0.270515 0.785374 ] [ 0.393415 0.729485 0.214626 ] [ 0.393415 0.270515 0.214626 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "C" "C" "C" "C" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.5278051133 "source-unit" "angstrom" } "b" { "source-value" 7.16794329537 "source-unit" "angstrom" } "c" { "source-value" 4.84526965439 "source-unit" "angstrom" } "beta" { "source-value" 91.2086241594 "source-unit" "degree" } }