{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.778688 0.4906 0.207523 ] [ 0.778688 0.0094 0.207523 ] [ 0.221312 0.5094 0.792477 ] [ 0.221312 0.9906 0.792477 ] [ 0.201265 0.25 0.335262 ] [ 0.798735 0.75 0.664738 ] [ 0.291694 0.75 0.419798 ] [ 0.708306 0.25 0.580202 ] [ 0.267715 0.25 0.05428 ] [ 0.732285 0.75 0.94572 ] [ 0.697406 0.75 0.087292 ] [ 0.033938 0.25 0.110914 ] [ 0.464833 0.25 0.160135 ] [ 0.17696 0.952505 0.31291 ] [ 0.17696 0.547495 0.31291 ] [ 0.828547 0.25 0.398963 ] [ 0.62744 0.75 0.442937 ] [ 0.37256 0.25 0.557063 ] [ 0.171453 0.75 0.601037 ] [ 0.82304 0.452505 0.68709 ] [ 0.82304 0.047495 0.68709 ] [ 0.535167 0.75 0.839865 ] [ 0.966062 0.75 0.889086 ] [ 0.302594 0.25 0.912708 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "As" "As" "C" "C" "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" 5.10502901 "source-unit" "angstrom" } "b" { "source-value" 6.57769521 "source-unit" "angstrom" } "c" { "source-value" 8.7565005 "source-unit" "angstrom" } "beta" { "source-value" 93.0651821 "source-unit" "degree" } }