{ "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" [ [ 0.254542 0.75 0.08379 ] [ 0.752564 0.007969 0.227714 ] [ 0.752564 0.492031 0.227714 ] [ 0.247436 0.507969 0.772286 ] [ 0.247436 0.992031 0.772286 ] [ 0.745458 0.25 0.91621 ] [ 0.209534 0.25 0.314707 ] [ 0.790466 0.75 0.685293 ] [ 0.286772 0.25 0.03846 ] [ 0.713228 0.75 0.96154 ] [ 0.279306 0.75 0.420344 ] [ 0.720694 0.25 0.579656 ] [ 0.653138 0.75 0.11264 ] [ 0.032233 0.25 0.090985 ] [ 0.485435 0.25 0.163325 ] [ 0.180138 0.945327 0.29393 ] [ 0.180138 0.554673 0.29393 ] [ 0.615334 0.75 0.46301 ] [ 0.852508 0.25 0.402095 ] [ 0.147492 0.75 0.597905 ] [ 0.384666 0.25 0.53699 ] [ 0.819862 0.445327 0.70607 ] [ 0.819862 0.054673 0.70607 ] [ 0.514565 0.75 0.836675 ] [ 0.967767 0.75 0.909015 ] [ 0.346862 0.25 0.88736 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "B" "B" "As" "As" "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" 5.09317226 "source-unit" "angstrom" } "b" { "source-value" 6.53086644 "source-unit" "angstrom" } "c" { "source-value" 8.55053021 "source-unit" "angstrom" } "beta" { "source-value" 94.71559093 "source-unit" "degree" } }