{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.760912 0 0.905682 ] [ 0.247084 0.778109 0.723442 ] [ 0.247084 0.221891 0.723442 ] [ 0.754026 0.273538 0.276096 ] [ 0.754026 0.726462 0.276096 ] [ 0.238351 0.5 0.092995 ] [ 0.793272 0.5 0.669984 ] [ 0.210499 0 0.332704 ] [ 0.720432 0 0.587296 ] [ 0.280677 0.5 0.411014 ] [ 0.700567 0.5 0.965571 ] [ 0.295902 0 0.036481 ] [ 0.945635 0.5 0.924853 ] [ 0.355961 0 0.889821 ] [ 0.506694 0.5 0.85194 ] [ 0.825571 0.816458 0.691238 ] [ 0.825571 0.183542 0.691238 ] [ 0.180643 0.5 0.579107 ] [ 0.405674 0 0.567976 ] [ 0.594659 0.5 0.429643 ] [ 0.823721 0 0.419952 ] [ 0.174707 0.685772 0.308298 ] [ 0.174707 0.314228 0.308298 ] [ 0.487342 0 0.15148 ] [ 0.646573 0.5 0.112358 ] [ 0.049711 0 0.072999 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "V" "Co" "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" 4.99369939 "source-unit" "angstrom" } "b" { "source-value" 6.55552048 "source-unit" "angstrom" } "c" { "source-value" 8.44905115 "source-unit" "angstrom" } "beta" { "source-value" 95.00105636 "source-unit" "degree" } }