{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.074911 0 0.929085 ] [ 0.794954 0 0.738443 ] [ 0.064594 0.5 0.796268 ] [ 0.037645 0 0.658525 ] [ 0.575873 0 0.556005 ] [ 0.295503 0 0.366786 ] [ 0.066458 0 0.423443 ] [ 0.039377 0.5 0.28666 ] [ 0.802048 0.5 0.103558 ] [ 0.065318 0 0.177257 ] [ 0.039851 0.5 0.030039 ] [ 0.574911 0.5 0.929085 ] [ 0.294954 0.5 0.738443 ] [ 0.564594 0 0.796268 ] [ 0.537645 0.5 0.658525 ] [ 0.075873 0.5 0.556005 ] [ 0.795503 0.5 0.366786 ] [ 0.566458 0.5 0.423443 ] [ 0.539377 0 0.28666 ] [ 0.302048 0 0.103558 ] [ 0.565318 0.5 0.177257 ] [ 0.539851 0 0.030039 ] [ 0.941548 0 0.993536 ] [ 0.010763 0.5 0.884784 ] [ 0.762191 0.5 0.893966 ] [ 0.999143 0 0.751888 ] [ 0.760331 0 0.844431 ] [ 0.946614 0.5 0.621279 ] [ 0.736615 0.5 0.69115 ] [ 0.510562 0.5 0.511448 ] [ 0.762589 0 0.521383 ] [ 0.998901 0.5 0.378774 ] [ 0.26084 0 0.471295 ] [ 0.940858 0 0.243498 ] [ 0.23661 0.5 0.32033 ] [ 0.011717 0.5 0.123965 ] [ 0.263896 0 0.192594 ] [ 0.242795 0.5 0.051488 ] [ 0.441548 0.5 0.993536 ] [ 0.510763 0 0.884784 ] [ 0.262191 0 0.893966 ] [ 0.499143 0.5 0.751888 ] [ 0.260331 0.5 0.844431 ] [ 0.446614 0 0.621279 ] [ 0.236615 0 0.69115 ] [ 0.010562 0 0.511448 ] [ 0.262589 0.5 0.521383 ] [ 0.498901 0 0.378774 ] [ 0.76084 0.5 0.471295 ] [ 0.440858 0.5 0.243498 ] [ 0.73661 0 0.32033 ] [ 0.511717 0 0.123965 ] [ 0.763896 0.5 0.192594 ] [ 0.742795 0 0.051488 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "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" 11.27152058 "source-unit" "angstrom" } "b" { "source-value" 3.76824524 "source-unit" "angstrom" } "c" { "source-value" 23.34192002 "source-unit" "angstrom" } "beta" { "source-value" 99.45152207 "source-unit" "degree" } }