{ "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" [ [ 0.760549 0.5 0.902967 ] [ 0.24829 0.273613 0.725907 ] [ 0.24829 0.726387 0.725907 ] [ 0.750908 0.773355 0.273975 ] [ 0.750908 0.226645 0.273975 ] [ 0.23891 0 0.093566 ] [ 0.215512 0.5 0.335304 ] [ 0.786933 0 0.666161 ] [ 0.719227 0.5 0.589658 ] [ 0.282861 0 0.412907 ] [ 0.702177 0 0.965546 ] [ 0.293832 0.5 0.031901 ] [ 0.947554 0 0.92953 ] [ 0.362227 0.5 0.8893 ] [ 0.510051 0 0.853743 ] [ 0.829783 0.312944 0.689208 ] [ 0.829783 0.687056 0.689208 ] [ 0.182833 0 0.57793 ] [ 0.408428 0.5 0.579329 ] [ 0.595589 0 0.428356 ] [ 0.813685 0.5 0.422698 ] [ 0.175763 0.186213 0.311532 ] [ 0.175763 0.813787 0.311532 ] [ 0.481042 0.5 0.147034 ] [ 0.642724 0 0.110206 ] [ 0.046382 0.5 0.062618 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Fe" "P" "P" "C" "C" "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" 5.01668137 "source-unit" "angstrom" } "b" { "source-value" 6.4769432 "source-unit" "angstrom" } "c" { "source-value" 8.61083629 "source-unit" "angstrom" } "beta" { "source-value" 94.63951959 "source-unit" "degree" } }