{ "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" [ [ 0.847424 0.488684 0.12167 ] [ 0.152576 0.511316 0.87833 ] [ 0.152576 0.988684 0.37833 ] [ 0.847424 0.011316 0.62167 ] [ 0.705313 0.326335 0.899003 ] [ 0.705313 0.173665 0.399003 ] [ 0.294687 0.826335 0.600997 ] [ 0.294687 0.673665 0.100997 ] [ 0.307645 0.690187 0.449715 ] [ 0.814011 0.872859 0.430363 ] [ 0.814011 0.627141 0.930363 ] [ 0.185989 0.127141 0.569637 ] [ 0.185989 0.372859 0.069637 ] [ 0.934639 0.307754 0.310754 ] [ 0.934639 0.192246 0.810754 ] [ 0.065361 0.692246 0.689246 ] [ 0.567214 0.678373 0.189383 ] [ 0.432786 0.178373 0.310617 ] [ 0.432786 0.321627 0.810617 ] [ 0.567214 0.821627 0.689383 ] [ 0.692355 0.190187 0.050285 ] [ 0.692355 0.309813 0.550285 ] [ 0.307645 0.809813 0.949715 ] [ 0.065361 0.807754 0.189246 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ga" "Ga" "Ga" "Ga" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.51958217353 "source-unit" "angstrom" } "b" { "source-value" 7.36359169 "source-unit" "angstrom" } "c" { "source-value" 14.0482046141 "source-unit" "angstrom" } "beta" { "source-value" 92.5469788305 "source-unit" "degree" } }