{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.71836 0.25 0.273084 ] [ 0.21836 0.25 0.226916 ] [ 0.28164 0.75 0.726916 ] [ 0.78164 0.75 0.773084 ] [ 0.024403 0.25 0.610637 ] [ 0.524403 0.25 0.889363 ] [ 0.475597 0.75 0.110637 ] [ 0.975597 0.75 0.389363 ] [ 0.462234 0.25 0.549515 ] [ 0.962234 0.25 0.950485 ] [ 0.037766 0.75 0.049515 ] [ 0.537766 0.75 0.450485 ] [ 0.803622 0.25 0.052201 ] [ 0.303622 0.25 0.447799 ] [ 0.680091 0.25 0.521015 ] [ 0.180091 0.25 0.978985 ] [ 0.870305 0.25 0.816275 ] [ 0.370305 0.25 0.683725 ] [ 0.819909 0.75 0.021015 ] [ 0.129695 0.75 0.183725 ] [ 0.629695 0.75 0.316275 ] [ 0.319909 0.75 0.478985 ] [ 0.696378 0.75 0.552201 ] [ 0.196378 0.75 0.947799 ] [ 0.45512 0.036182 0.156571 ] [ 0.95512 0.036182 0.343429 ] [ 0.45512 0.463818 0.156571 ] [ 0.95512 0.463818 0.343429 ] [ 0.54488 0.536182 0.843429 ] [ 0.04488 0.536182 0.656571 ] [ 0.04488 0.963818 0.656571 ] [ 0.54488 0.963818 0.843429 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.71465114 "source-unit" "angstrom" } "b" { "source-value" 6.66772172 "source-unit" "angstrom" } "c" { "source-value" 9.00547998 "source-unit" "angstrom" } }