{ "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" [ [ 0.996789 0.257131 0.00937 ] [ 0.996789 0.742869 0.00937 ] [ 0.497259 0.743947 0.494107 ] [ 0.497259 0.256053 0.494107 ] [ 0.975823 0.5 0.279746 ] [ 0.018924 0 0.721336 ] [ 0.492577 0 0.223422 ] [ 0.515161 0.5 0.781605 ] [ 0.086144 0.5 0.590798 ] [ 0.421249 0.5 0.094467 ] [ 0.589233 0 0.907857 ] [ 0.907046 0 0.405259 ] [ 0.201687 0.5 0.454989 ] [ 0.223524 0.296692 0.664112 ] [ 0.223524 0.703308 0.664112 ] [ 0.227544 0 0.402253 ] [ 0.269352 0 0.902633 ] [ 0.290681 0.290997 0.162368 ] [ 0.290681 0.709003 0.162368 ] [ 0.287781 0.5 0.957354 ] [ 0.714462 0 0.044255 ] [ 0.723998 0.796913 0.835985 ] [ 0.723998 0.203087 0.835985 ] [ 0.740075 0.5 0.093295 ] [ 0.765372 0.5 0.59914 ] [ 0.767031 0.798266 0.333509 ] [ 0.767031 0.201734 0.333509 ] [ 0.789003 0 0.542689 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "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" 4.78212547 "source-unit" "angstrom" } "b" { "source-value" 6.02267181 "source-unit" "angstrom" } "c" { "source-value" 10.50438871 "source-unit" "angstrom" } "beta" { "source-value" 90.50516155 "source-unit" "degree" } }