{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.687913 0.836061 0.279036 ] [ 0.312087 0.336061 0.220964 ] [ 0.687913 0.663939 0.779036 ] [ 0.312087 0.163939 0.720964 ] [ 0.776798 0.134463 0.741018 ] [ 0.776798 0.365537 0.241018 ] [ 0.223202 0.634463 0.758982 ] [ 0.223202 0.865537 0.258982 ] [ 0.972283 0.807851 0.853353 ] [ 0.972283 0.692149 0.353353 ] [ 0.553029 0.104554 0.316528 ] [ 0.446971 0.604554 0.183472 ] [ 0.553029 0.395446 0.816528 ] [ 0.446971 0.895446 0.683472 ] [ 0.027717 0.307851 0.646647 ] [ 0.027717 0.192149 0.146647 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Nd" "Nd" "Nd" "Nd" "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" 6.58129034 "source-unit" "angstrom" } "b" { "source-value" 6.21057901 "source-unit" "angstrom" } "c" { "source-value" 6.7851406 "source-unit" "angstrom" } "beta" { "source-value" 120.64817514 "source-unit" "degree" } }