{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.249243 0.797048 0.74306 ] [ 0.750757 0.297048 0.25694 ] [ 0.288528 0.515498 0.998149 ] [ 0.214457 0.077101 0.50437 ] [ 0.785543 0.577101 0.49563 ] [ 0.711472 0.015498 0.001851 ] [ 0.826067 0.699926 0.992228 ] [ 0.327356 0.393819 0.501276 ] [ 0.672644 0.893819 0.498724 ] [ 0.173933 0.199926 0.007772 ] [ 0.08021 0.345711 0.004016 ] [ 0.509932 0.687714 0.980077 ] [ 0.045227 0.121233 0.815121 ] [ 0.974044 0.638098 0.788692 ] [ 0.524051 0.960941 0.699648 ] [ 0.452595 0.470525 0.699055 ] [ 0.425751 0.250183 0.501492 ] [ 0.013759 0.405129 0.484274 ] [ 0.986241 0.905129 0.515726 ] [ 0.574249 0.750183 0.498508 ] [ 0.547405 0.970525 0.300945 ] [ 0.475949 0.460941 0.300352 ] [ 0.025956 0.138098 0.211308 ] [ 0.954773 0.621233 0.184879 ] [ 0.490068 0.187714 0.019923 ] [ 0.91979 0.845711 0.995984 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "O" "O" "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" 4.86880817 "source-unit" "angstrom" } "b" { "source-value" 10.18066115 "source-unit" "angstrom" } "c" { "source-value" 6.13327715 "source-unit" "angstrom" } "beta" { "source-value" 90.58148038 "source-unit" "degree" } }