{ "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" [ [ 0.294532 0.275592 0.334966 ] [ 0.376684 0.268892 0.654213 ] [ 0.623316 0.731108 0.345787 ] [ 0.123316 0.768892 0.845787 ] [ 0.794532 0.224408 0.834966 ] [ 0.876684 0.231108 0.154213 ] [ 0.705468 0.724408 0.665034 ] [ 0.205468 0.775592 0.165034 ] [ 0.860107 0.300476 0.551762 ] [ 0.139893 0.699524 0.448238 ] [ 0.360107 0.199524 0.051762 ] [ 0.639893 0.800476 0.948238 ] [ 0.672744 0.212495 0.52706 ] [ 0.01931 0.741338 0.320703 ] [ 0.98069 0.258662 0.679297 ] [ 0.48069 0.241338 0.179297 ] [ 0.327256 0.787505 0.47294 ] [ 0.51931 0.758662 0.820703 ] [ 0.172744 0.287505 0.02706 ] [ 0.827256 0.712495 0.97294 ] [ 0.059587 0.954352 0.293344 ] [ 0.093147 0.159684 0.942779 ] [ 0.555921 0.940661 0.768938 ] [ 0.673703 0.978461 0.509541 ] [ 0.855023 0.769355 0.884503 ] [ 0.940413 0.045648 0.706656 ] [ 0.906853 0.840316 0.057221 ] [ 0.593147 0.340316 0.442779 ] [ 0.440413 0.454352 0.206656 ] [ 0.406853 0.659684 0.557221 ] [ 0.355023 0.730645 0.384503 ] [ 0.622542 0.230647 0.175476 ] [ 0.559587 0.545648 0.793344 ] [ 0.173703 0.521539 0.009541 ] [ 0.826297 0.478461 0.990459 ] [ 0.122542 0.269353 0.675476 ] [ 0.377458 0.769353 0.824524 ] [ 0.877458 0.730647 0.324524 ] [ 0.444079 0.059339 0.231062 ] [ 0.144977 0.230645 0.115497 ] [ 0.644977 0.269355 0.615497 ] [ 0.055921 0.559339 0.268938 ] [ 0.944079 0.440661 0.731062 ] [ 0.326297 0.021539 0.490459 ] [ 0.358339 0.979582 0.032714 ] [ 0.858339 0.520418 0.532714 ] [ 0.088476 0.803833 0.510194 ] [ 0.641661 0.020418 0.967286 ] [ 0.911524 0.196167 0.489806 ] [ 0.411524 0.303833 0.989806 ] [ 0.588476 0.696167 0.010194 ] [ 0.141661 0.479582 0.467286 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "C" "C" "C" "C" "S" "S" "S" "S" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.0960502617 "source-unit" "angstrom" } "b" { "source-value" 6.15339779 "source-unit" "angstrom" } "c" { "source-value" 14.7901300746 "source-unit" "angstrom" } "beta" { "source-value" 109.885817676 "source-unit" "degree" } }