{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.98056 0 0.281761 ] [ 0.98369 0.5 0.283309 ] [ 0.721989 0.5 0.702204 ] [ 0.30143 0 0.021548 ] [ 0.300106 0.5 0.0168 ] [ 0.368513 0.247737 0.381747 ] [ 0.368513 0.752263 0.381747 ] [ 0.632577 0.246904 0.978004 ] [ 0.632577 0.753096 0.978004 ] [ 0.000366 0.247962 0.63823 ] [ 0.000366 0.752038 0.63823 ] [ 0.666519 0.5 0.328054 ] [ 0.660855 0 0.32297 ] [ 0.332063 0.5 0.665436 ] [ 0.007294 0.743909 0.00769 ] [ 0.007294 0.256091 0.00769 ] [ 0.324556 0 0.667249 ] [ 0.92373 0.251005 0.120346 ] [ 0.92373 0.748995 0.120346 ] [ 0.859133 0.5 0.439399 ] [ 0.85195 0 0.438832 ] [ 0.586979 0 0.131437 ] [ 0.584329 0.5 0.136171 ] [ 0.898541 0.729896 0.818287 ] [ 0.898541 0.270104 0.818287 ] [ 0.55748 0.5 0.415238 ] [ 0.537856 0 0.392154 ] [ 0.20177 0.250712 0.091158 ] [ 0.20177 0.749288 0.091158 ] [ 0.525673 0.5 0.775264 ] [ 0.514617 0 0.778183 ] [ 0.255539 0.5 0.471438 ] [ 0.248364 0 0.473175 ] [ 0.217561 0.5 0.743929 ] [ 0.206787 0 0.744475 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "B" "B" "B" "B" "B" "B" "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" 8.23440244 "source-unit" "angstrom" } "b" { "source-value" 6.3735353 "source-unit" "angstrom" } "c" { "source-value" 8.25139479 "source-unit" "angstrom" } "beta" { "source-value" 119.30891072 "source-unit" "degree" } }