{ "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" [ [ 0.771234 0.0027 0.217113 ] [ 0.228766 0.9973 0.782887 ] [ 0.228766 0.5027 0.782887 ] [ 0.771234 0.4973 0.217113 ] [ 0.795987 0.75 0.655912 ] [ 0.204013 0.25 0.344088 ] [ 0.71948 0.25 0.582437 ] [ 0.28052 0.75 0.417563 ] [ 0.733999 0.75 0.94033 ] [ 0.266001 0.25 0.05967 ] [ 0.173429 0.942376 0.32451 ] [ 0.970281 0.75 0.88366 ] [ 0.467225 0.25 0.168959 ] [ 0.532775 0.75 0.831041 ] [ 0.173429 0.557624 0.32451 ] [ 0.170199 0.75 0.582904 ] [ 0.029719 0.25 0.11634 ] [ 0.826571 0.442376 0.67549 ] [ 0.826571 0.057624 0.67549 ] [ 0.41095 0.25 0.564131 ] [ 0.696533 0.75 0.083715 ] [ 0.303467 0.25 0.916285 ] [ 0.58905 0.75 0.435869 ] [ 0.829801 0.25 0.417096 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "P" "P" "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" 5.0200133542 "source-unit" "angstrom" } "b" { "source-value" 6.40459385 "source-unit" "angstrom" } "c" { "source-value" 8.6163710836 "source-unit" "angstrom" } "beta" { "source-value" 93.6543182961 "source-unit" "degree" } }