{ "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" [ [ 0.121117 0 0.363975 ] [ 0.742347 0.5 0.739825 ] [ 0.884604 0.5 0.139228 ] [ 0.126973 0.5 0.871374 ] [ 0.999381 0.5 0.497324 ] [ 0.870402 0 0.615307 ] [ 0.249409 0.5 0.258151 ] [ 0.621117 0.5 0.363975 ] [ 0.242347 0 0.739825 ] [ 0.384604 0 0.139228 ] [ 0.626973 0 0.871374 ] [ 0.499381 0 0.497324 ] [ 0.370402 0.5 0.615307 ] [ 0.749409 0 0.258151 ] [ 0.006814 0 0.019303 ] [ 0.506814 0.5 0.019303 ] [ 0.061812 0.5 0.184113 ] [ 0.561812 0 0.184113 ] [ 0.807965 0 0.930655 ] [ 0.688569 0 0.565916 ] [ 0.062172 0 0.688032 ] [ 0.93435 0 0.315298 ] [ 0.937143 0.5 0.810084 ] [ 0.317272 0 0.443598 ] [ 0.189676 0 0.057816 ] [ 0.307965 0.5 0.930655 ] [ 0.188569 0.5 0.565916 ] [ 0.562172 0.5 0.688032 ] [ 0.43435 0.5 0.315298 ] [ 0.437143 0 0.810084 ] [ 0.817272 0.5 0.443598 ] [ 0.689676 0.5 0.057816 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "O" "O" "F" "F" "F" "F" "F" "F" "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" 12.68710347 "source-unit" "angstrom" } "b" { "source-value" 2.92692532 "source-unit" "angstrom" } "c" { "source-value" 9.69973298 "source-unit" "angstrom" } "beta" { "source-value" 128.42310122 "source-unit" "degree" } }