{ "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" [ [ 0.312845 0.277843 0.146839 ] [ 0.687155 0.777843 0.353161 ] [ 0.010162 0.248494 0.884228 ] [ 0.010162 0.251506 0.384228 ] [ 0.989838 0.751506 0.115772 ] [ 0.687155 0.722157 0.853161 ] [ 0.312845 0.222157 0.646839 ] [ 0.989838 0.748494 0.615772 ] [ 0.513196 0.804437 0.576668 ] [ 0.513196 0.695563 0.076668 ] [ 0.486804 0.195563 0.423332 ] [ 0.486804 0.304437 0.923332 ] [ 0.71441 0.250353 0.129456 ] [ 0.71441 0.249647 0.629456 ] [ 0.28559 0.750353 0.370544 ] [ 0.28559 0.749647 0.870544 ] [ 0.584815 0.10464 0.19682 ] [ 0.70226 0.568714 0.146394 ] [ 0.321797 0.815996 0.010268 ] [ 0.415185 0.89536 0.80318 ] [ 0.29774 0.068714 0.353606 ] [ 0.099172 0.669907 0.319592 ] [ 0.678203 0.315996 0.489732 ] [ 0.70226 0.931286 0.646394 ] [ 0.900828 0.169907 0.180408 ] [ 0.678203 0.184004 0.989732 ] [ 0.415185 0.60464 0.30318 ] [ 0.099172 0.830093 0.819592 ] [ 0.584815 0.39536 0.69682 ] [ 0.900828 0.330093 0.680408 ] [ 0.321797 0.684004 0.510268 ] [ 0.29774 0.431286 0.853606 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Cu" "Cu" "Cu" "Cu" "As" "As" "As" "As" "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" 8.82759012473 "source-unit" "angstrom" } "b" { "source-value" 5.48886786 "source-unit" "angstrom" } "c" { "source-value" 12.3814521124 "source-unit" "angstrom" } "beta" { "source-value" 99.3969611571 "source-unit" "degree" } }