{ "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" [ [ 0.245954 0.762356 0.763763 ] [ 0.754046 0.762356 0.236237 ] [ 0.745954 0.262356 0.763763 ] [ 0.254046 0.262356 0.236237 ] [ 0.123686 0.239468 0.794755 ] [ 0.123591 0.76125 0.295553 ] [ 0.876314 0.239468 0.205245 ] [ 0.876409 0.76125 0.704447 ] [ 0.623686 0.739468 0.794755 ] [ 0.623591 0.26125 0.295553 ] [ 0.376314 0.739468 0.205245 ] [ 0.376409 0.26125 0.704447 ] [ 0 0.956914 0.5 ] [ 0.385848 0.065544 0.03634 ] [ 0.613217 0.935364 0.462394 ] [ 0 0.043533 0 ] [ 0.386783 0.935364 0.537606 ] [ 0.614152 0.065544 0.96366 ] [ 0.5 0.456914 0.5 ] [ 0.885848 0.565544 0.03634 ] [ 0.113217 0.435364 0.462394 ] [ 0.5 0.543533 0 ] [ 0.886783 0.435364 0.537606 ] [ 0.114152 0.565544 0.96366 ] [ 0.892966 0.847469 0.50737 ] [ 0.690244 0.928554 0.947895 ] [ 0.107034 0.847469 0.49263 ] [ 0.933149 0.94877 0.839212 ] [ 0.06843 0.050985 0.661175 ] [ 0.066851 0.94877 0.160788 ] [ 0.311055 0.070041 0.558304 ] [ 0.309441 0.83907 0.3754 ] [ 0.944957 0.329923 0.692536 ] [ 0.93157 0.050985 0.338825 ] [ 0.309756 0.928554 0.052105 ] [ 0 0.509254 0.5 ] [ 0.05822 0.670745 0.808136 ] [ 0.94178 0.670745 0.191864 ] [ 0.892712 0.152991 0.007459 ] [ 0.690514 0.162505 0.125206 ] [ 0.055043 0.329923 0.307464 ] [ 0.690559 0.83907 0.6246 ] [ 0 0.493189 0 ] [ 0.688945 0.070041 0.441696 ] [ 0.107288 0.152991 0.992541 ] [ 0.309486 0.162505 0.874794 ] [ 0.392966 0.347469 0.50737 ] [ 0.190244 0.428554 0.947895 ] [ 0.607034 0.347469 0.49263 ] [ 0.433149 0.44877 0.839212 ] [ 0.56843 0.550985 0.661175 ] [ 0.566851 0.44877 0.160788 ] [ 0.811055 0.570041 0.558304 ] [ 0.809441 0.33907 0.3754 ] [ 0.444957 0.829923 0.692536 ] [ 0.43157 0.550985 0.338825 ] [ 0.809756 0.428554 0.052105 ] [ 0.5 0.009254 0.5 ] [ 0.55822 0.170745 0.808136 ] [ 0.44178 0.170745 0.191864 ] [ 0.392712 0.652991 0.007459 ] [ 0.190514 0.662505 0.125206 ] [ 0.555043 0.829923 0.307464 ] [ 0.190559 0.33907 0.6246 ] [ 0.5 0.993189 0 ] [ 0.188945 0.570041 0.441696 ] [ 0.607288 0.652991 0.992541 ] [ 0.809486 0.662505 0.874794 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.4760945497 "source-unit" "angstrom" } "b" { "source-value" 8.66150627393 "source-unit" "angstrom" } "c" { "source-value" 8.7446070368 "source-unit" "angstrom" } "beta" { "source-value" 115.168994927 "source-unit" "degree" } }