{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.253222 0.754605 0.003343 ] [ 0.383209 0.749103 0.375417 ] [ 0.501049 0.000006 0.166832 ] [ 0.50079 0.501511 0.167147 ] [ 0.629225 0.249088 0.379476 ] [ 0.747418 0.748818 0.503725 ] [ 0.868193 0.75409 0.126603 ] [ 0.876709 0.754042 0.870481 ] [ 0.001071 0.499419 0.333544 ] [ 0.000793 0.001211 0.333852 ] [ 0.998929 0.999419 0.666456 ] [ 0.999207 0.501211 0.666148 ] [ 0.123291 0.254042 0.129519 ] [ 0.131807 0.25409 0.873397 ] [ 0.252582 0.248818 0.496275 ] [ 0.370775 0.749088 0.620524 ] [ 0.498951 0.500006 0.833168 ] [ 0.49921 0.001511 0.832853 ] [ 0.616791 0.249103 0.624583 ] [ 0.746778 0.254605 0.996657 ] [ 0.330962 0.249028 0.301312 ] [ 0.388183 0.250072 0.016099 ] [ 0.71379 0.749048 0.316135 ] [ 0.78154 0.249947 0.186859 ] [ 0.829112 0.249967 0.797178 ] [ 0.883901 0.24897 0.514677 ] [ 0.116099 0.74897 0.485323 ] [ 0.170888 0.749967 0.202822 ] [ 0.21846 0.749947 0.813141 ] [ 0.28621 0.249048 0.683865 ] [ 0.611817 0.750072 0.983901 ] [ 0.669038 0.749028 0.698688 ] [ 0.999613 0.526308 0.999974 ] [ 0.000387 0.026308 0.000026 ] [ 0.313246 0.075568 0.044507 ] [ 0.307041 0.421598 0.042204 ] [ 0.314508 0.748627 0.166579 ] [ 0.33018 0.251383 0.210352 ] [ 0.409182 0.420999 0.329921 ] [ 0.409282 0.075581 0.327872 ] [ 0.526251 0.254217 0.059668 ] [ 0.591516 0.748974 0.259557 ] [ 0.592936 0.748589 0.073756 ] [ 0.64753 0.253974 0.234331 ] [ 0.710271 0.920759 0.369748 ] [ 0.713233 0.575739 0.368694 ] [ 0.77671 0.075171 0.13513 ] [ 0.78314 0.421678 0.133186 ] [ 0.804568 0.075447 0.540607 ] [ 0.801473 0.420814 0.539636 ] [ 0.815151 0.748768 0.665866 ] [ 0.824985 0.253953 0.70646 ] [ 0.84986 0.751336 0.270351 ] [ 0.909279 0.421413 0.824779 ] [ 0.909424 0.075395 0.82063 ] [ 0.90633 0.248846 0.4251 ] [ 0.907715 0.24845 0.240639 ] [ 0.979262 0.751171 0.440471 ] [ 0.020738 0.251171 0.559529 ] [ 0.092285 0.74845 0.759361 ] [ 0.09367 0.748846 0.5749 ] [ 0.090721 0.921413 0.175221 ] [ 0.090576 0.575395 0.17937 ] [ 0.15014 0.251336 0.729649 ] [ 0.175015 0.753953 0.29354 ] [ 0.184849 0.248768 0.334134 ] [ 0.195432 0.575447 0.459393 ] [ 0.198527 0.920814 0.460364 ] [ 0.22329 0.575171 0.86487 ] [ 0.21686 0.921678 0.866814 ] [ 0.289729 0.420759 0.630252 ] [ 0.286767 0.075739 0.631306 ] [ 0.35247 0.753974 0.765669 ] [ 0.407064 0.248589 0.926244 ] [ 0.408484 0.248974 0.740443 ] [ 0.473749 0.754217 0.940332 ] [ 0.590818 0.920999 0.670079 ] [ 0.590718 0.575581 0.672128 ] [ 0.66982 0.751383 0.789648 ] [ 0.685492 0.248627 0.833421 ] [ 0.686754 0.575568 0.955493 ] [ 0.692959 0.921598 0.957796 ] [ 0.501018 0.723316 0.500059 ] [ 0.498982 0.223316 0.499941 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.9478762 "source-unit" "angstrom" } "b" { "source-value" 7.29130209 "source-unit" "angstrom" } "c" { "source-value" 17.22855827 "source-unit" "angstrom" } "beta" { "source-value" 90.00139834 "source-unit" "degree" } }