{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.067544 0.741627 0.850956 ] [ 0.06976 0.5 0.29906 ] [ 0.922548 0 0.663804 ] [ 0.067544 0.258373 0.850956 ] [ 0.928169 0.727513 0.156483 ] [ 0.077146 0 0.337996 ] [ 0.930656 0.5 0.684853 ] [ 0.928169 0.272487 0.156483 ] [ 0.567544 0.241627 0.850956 ] [ 0.56976 0 0.29906 ] [ 0.422548 0.5 0.663804 ] [ 0.567544 0.758373 0.850956 ] [ 0.428169 0.227513 0.156483 ] [ 0.577146 0.5 0.337996 ] [ 0.430656 0 0.684853 ] [ 0.428169 0.772487 0.156483 ] [ 0.753384 0.255433 0.495431 ] [ 0.751943 0 0.013768 ] [ 0.753384 0.744567 0.495431 ] [ 0.75075 0.5 0.995806 ] [ 0.253384 0.755433 0.495431 ] [ 0.251943 0.5 0.013768 ] [ 0.253384 0.244567 0.495431 ] [ 0.25075 0 0.995806 ] [ 0.176829 0.749147 0.171189 ] [ 0.825514 0 0.348058 ] [ 0.000731 0.5 0.994414 ] [ 0.822085 0.758175 0.831175 ] [ 0.176829 0.250853 0.171189 ] [ 0.827062 0.5 0.324322 ] [ 0.177051 0 0.658415 ] [ 0.822085 0.241825 0.831175 ] [ 0.676829 0.249147 0.171189 ] [ 0.325514 0.5 0.348058 ] [ 0.500731 0 0.994414 ] [ 0.322085 0.258175 0.831175 ] [ 0.676829 0.750853 0.171189 ] [ 0.327062 0 0.324322 ] [ 0.677051 0.5 0.658415 ] [ 0.322085 0.741825 0.831175 ] [ 0.999399 0 0.000625 ] [ 0.00148 0.757077 0.500423 ] [ 0.169531 0.5 0.667632 ] [ 0.00148 0.242923 0.500423 ] [ 0.499399 0.5 0.000625 ] [ 0.50148 0.257077 0.500423 ] [ 0.669531 0 0.667632 ] [ 0.50148 0.742923 0.500423 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "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" 14.70505308 "source-unit" "angstrom" } "b" { "source-value" 6.02253818 "source-unit" "angstrom" } "c" { "source-value" 5.20720926 "source-unit" "angstrom" } "beta" { "source-value" 90.1781905 "source-unit" "degree" } }