{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.707357 0.866437 0.122151 ] [ 0.722745 0.15085 0.160444 ] [ 0.955833 0.300258 0.170926 ] [ 0.255722 0.914046 0.255414 ] [ 0.042696 0.784715 0.337776 ] [ 0.857997 0.980809 0.424534 ] [ 0.142003 0.980809 0.575466 ] [ 0.957304 0.784715 0.662224 ] [ 0.744278 0.914046 0.744586 ] [ 0.044167 0.300258 0.829074 ] [ 0.277255 0.15085 0.839556 ] [ 0.292643 0.866437 0.877849 ] [ 0.207357 0.366437 0.122151 ] [ 0.222745 0.65085 0.160444 ] [ 0.455833 0.800258 0.170926 ] [ 0.755722 0.414046 0.255414 ] [ 0.542696 0.284715 0.337776 ] [ 0.357997 0.480809 0.424534 ] [ 0.642003 0.480809 0.575466 ] [ 0.457304 0.284715 0.662224 ] [ 0.244278 0.414046 0.744586 ] [ 0.544167 0.800258 0.829074 ] [ 0.777255 0.65085 0.839556 ] [ 0.792643 0.366437 0.877849 ] [ 0.132725 0.128831 0.254433 ] [ 0.867275 0.128831 0.745567 ] [ 0.632725 0.628831 0.254433 ] [ 0.367275 0.628831 0.745567 ] [ 0 0.174049 0 ] [ 0.379551 0.95126 0.07088 ] [ 0.792593 0.709398 0.083249 ] [ 0.830746 0.000407 0.168679 ] [ 0.088499 0.912422 0.17031 ] [ 0.060956 0.620178 0.249551 ] [ 0.096164 0.341387 0.319831 ] [ 0.821298 0.249958 0.328854 ] [ 0.871661 0.800189 0.429945 ] [ 0.282118 0.038859 0.436959 ] [ 0 0.082441 0.5 ] [ 0.717882 0.038859 0.563041 ] [ 0.128339 0.800189 0.570055 ] [ 0.178702 0.249958 0.671146 ] [ 0.903836 0.341387 0.680169 ] [ 0.939044 0.620178 0.750449 ] [ 0.911501 0.912422 0.82969 ] [ 0.169254 0.000407 0.831321 ] [ 0.207407 0.709398 0.916751 ] [ 0.620449 0.95126 0.92912 ] [ 0.5 0.674049 0 ] [ 0.879551 0.45126 0.07088 ] [ 0.292593 0.209398 0.083249 ] [ 0.330746 0.500407 0.168679 ] [ 0.588499 0.412422 0.17031 ] [ 0.560956 0.120178 0.249551 ] [ 0.596164 0.841387 0.319831 ] [ 0.321298 0.749958 0.328854 ] [ 0.371661 0.300189 0.429945 ] [ 0.782118 0.538859 0.436959 ] [ 0.5 0.582441 0.5 ] [ 0.217882 0.538859 0.563041 ] [ 0.628339 0.300189 0.570055 ] [ 0.678702 0.749958 0.671146 ] [ 0.403836 0.841387 0.680169 ] [ 0.439044 0.120178 0.750449 ] [ 0.411501 0.412422 0.82969 ] [ 0.669254 0.500407 0.831321 ] [ 0.707407 0.209398 0.916751 ] [ 0.120449 0.45126 0.92912 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Sn" "Sn" "Sn" "Sn" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 14.86011761 "source-unit" "angstrom" } "b" { "source-value" 14.71532593 "source-unit" "angstrom" } "c" { "source-value" 10.47087863 "source-unit" "angstrom" } "beta" { "source-value" 90.19271233 "source-unit" "degree" } }