{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.664425 0 0.887422 ] [ 0.991338 0 0.986283 ] [ 0.994377 0 0.502833 ] [ 0.324399 0 0.403687 ] [ 0.164425 0.5 0.887422 ] [ 0.491338 0.5 0.986283 ] [ 0.494377 0.5 0.502833 ] [ 0.824399 0.5 0.403687 ] [ 0.830944 0 0.214594 ] [ 0.917893 0.253282 0.714043 ] [ 0.917893 0.746718 0.714043 ] [ 0.330944 0.5 0.214594 ] [ 0.417893 0.753282 0.714043 ] [ 0.417893 0.246718 0.714043 ] [ 0.083162 0.251905 0.215876 ] [ 0.67779 0 0.510784 ] [ 0.083162 0.748095 0.215876 ] [ 0.170572 0 0.716759 ] [ 0.348941 0 0.972133 ] [ 0.583162 0.751905 0.215876 ] [ 0.17779 0.5 0.510784 ] [ 0.583162 0.248095 0.215876 ] [ 0.670572 0.5 0.716759 ] [ 0.848941 0.5 0.972133 ] [ 0.086993 0.231518 0.603582 ] [ 0.504165 0 0.318891 ] [ 0.660587 0 0.107897 ] [ 0.00206 0 0.318958 ] [ 0.007213 0 0.808374 ] [ 0.086993 0.768482 0.603582 ] [ 0.734999 0.766473 0.327497 ] [ 0.734999 0.233527 0.327497 ] [ 0.151331 0 0.10741 ] [ 0.842315 0 0.600622 ] [ 0.255055 0.779141 0.838111 ] [ 0.255055 0.220859 0.838111 ] [ 0.325963 0 0.609589 ] [ 0.931019 0.232639 0.101732 ] [ 0.486298 0 0.839901 ] [ 0.931019 0.767361 0.101732 ] [ 0.586993 0.731518 0.603582 ] [ 0.004165 0.5 0.318891 ] [ 0.160587 0.5 0.107897 ] [ 0.50206 0.5 0.318958 ] [ 0.507213 0.5 0.808374 ] [ 0.586993 0.268482 0.603582 ] [ 0.234999 0.266473 0.327497 ] [ 0.234999 0.733527 0.327497 ] [ 0.651331 0.5 0.10741 ] [ 0.342315 0.5 0.600622 ] [ 0.755055 0.279141 0.838111 ] [ 0.755055 0.720859 0.838111 ] [ 0.825963 0.5 0.609589 ] [ 0.431019 0.732639 0.101732 ] [ 0.986298 0.5 0.839901 ] [ 0.431019 0.267361 0.101732 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.67567667 "source-unit" "angstrom" } "b" { "source-value" 6.18576596 "source-unit" "angstrom" } "c" { "source-value" 10.22520376 "source-unit" "angstrom" } "beta" { "source-value" 90.29081389 "source-unit" "degree" } }