{ "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" [ [ 0.664352 0.127975 0.936428 ] [ 0.664352 0.372025 0.436428 ] [ 0.335648 0.872025 0.063572 ] [ 0.335648 0.627975 0.563572 ] [ 0.550896 0.793601 0.423456 ] [ 0.449104 0.293601 0.076544 ] [ 0.449104 0.206399 0.576544 ] [ 0.550896 0.706399 0.923456 ] [ 0.968582 0.037561 0.283477 ] [ 0.031418 0.537561 0.216523 ] [ 0.031418 0.962439 0.716523 ] [ 0.968582 0.462439 0.783477 ] [ 0.711151 0.907015 0.283416 ] [ 0.288849 0.407015 0.216584 ] [ 0.288849 0.092985 0.716584 ] [ 0.711151 0.592985 0.783416 ] [ 0.7877 0.513492 0.089789 ] [ 0.2123 0.013492 0.410211 ] [ 0.2123 0.486508 0.910211 ] [ 0.7877 0.986508 0.589789 ] [ 0.835987 0.209829 0.289562 ] [ 0.164013 0.709829 0.210438 ] [ 0.164013 0.790171 0.710438 ] [ 0.835987 0.290171 0.789562 ] [ 0.898779 0.971442 0.85761 ] [ 0.101221 0.471442 0.64239 ] [ 0.898779 0.528558 0.35761 ] [ 0.101221 0.028558 0.14239 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Mo" "Mo" "Mo" "Mo" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.28910191777 "source-unit" "angstrom" } "b" { "source-value" 9.43728771 "source-unit" "angstrom" } "c" { "source-value" 11.1946383508 "source-unit" "angstrom" } "beta" { "source-value" 99.2712934117 "source-unit" "degree" } }