{ "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" [ [ 0.164227 0.475912 0.923761 ] [ 0.391826 0.990555 0.795818 ] [ 0.608174 0.490555 0.704182 ] [ 0.835773 0.975912 0.576239 ] [ 0.164227 0.024088 0.423761 ] [ 0.391826 0.509445 0.295818 ] [ 0.608174 0.009445 0.204182 ] [ 0.835773 0.524088 0.076239 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.881902 0.685539 0.794758 ] [ 0.118098 0.185539 0.705242 ] [ 0.881902 0.814461 0.294758 ] [ 0.118098 0.314461 0.205242 ] [ 0.61964 0.235634 0.94682 ] [ 0.38036 0.735634 0.55318 ] [ 0.61964 0.264366 0.44682 ] [ 0.38036 0.764366 0.05318 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "O" "O" "O" "O" "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" 6.09674358 "source-unit" "angstrom" } "b" { "source-value" 5.04185936 "source-unit" "angstrom" } "c" { "source-value" 6.13956392 "source-unit" "angstrom" } "beta" { "source-value" 100.19392412 "source-unit" "degree" } }