{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.876088 0.25 0.570178 ] [ 0.123912 0.75 0.429822 ] [ 0.450975 0.25 0.885317 ] [ 0.549025 0.75 0.114683 ] [ 0.810983 0.25 0.979333 ] [ 0.189017 0.75 0.020667 ] [ 0.513253 0.25 0.600415 ] [ 0.486747 0.75 0.399585 ] [ 0.829674 0.75 0.781722 ] [ 0.170326 0.25 0.218278 ] [ 0.187686 0.75 0.720854 ] [ 0.812314 0.25 0.279146 ] [ 0.384792 0.25 0.032561 ] [ 0.615208 0.75 0.967439 ] [ 0.710236 0.75 0.631391 ] [ 0.289764 0.25 0.368609 ] [ 0.007607 0.75 0.268186 ] [ 0.992393 0.25 0.731814 ] [ 0.367215 0.75 0.53127 ] [ 0.632785 0.25 0.46873 ] [ 0.3623 0.25 0.717795 ] [ 0.6377 0.75 0.282205 ] [ 0.268704 0.75 0.873029 ] [ 0.731296 0.25 0.126971 ] [ 0.048569 0.25 0.075785 ] [ 0.951431 0.75 0.924215 ] [ 0.947628 0.25 0.4247 ] [ 0.052372 0.75 0.5753 ] [ 0.318858 0.75 0.181321 ] [ 0.681142 0.25 0.818679 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "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" 10.1164305141 "source-unit" "angstrom" } "b" { "source-value" 3.99357656 "source-unit" "angstrom" } "c" { "source-value" 17.5469132959 "source-unit" "angstrom" } "beta" { "source-value" 98.6224730448 "source-unit" "degree" } }