{ "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" [ [ 0.242009 0.986735 0.274398 ] [ 0.757991 0.486735 0.225602 ] [ 0.242009 0.513265 0.774398 ] [ 0.757991 0.013265 0.725602 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0.748314 0.922189 0.404899 ] [ 0.251686 0.422189 0.095101 ] [ 0.251686 0.077811 0.595101 ] [ 0.748314 0.577811 0.904899 ] [ 0.534004 0.764565 0.338234 ] [ 0.465996 0.264565 0.161766 ] [ 0.465996 0.235435 0.661766 ] [ 0.534004 0.735435 0.838234 ] [ 0.947819 0.800858 0.326319 ] [ 0.052181 0.300858 0.173681 ] [ 0.052181 0.199142 0.673681 ] [ 0.947819 0.699142 0.826319 ] [ 0.743547 0.691514 0.047267 ] [ 0.256453 0.191514 0.452733 ] [ 0.731613 0.254839 0.897946 ] [ 0.268387 0.754839 0.602054 ] [ 0.268387 0.745161 0.102054 ] [ 0.256453 0.308486 0.952733 ] [ 0.743547 0.808486 0.547267 ] [ 0.731613 0.245161 0.397946 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 5.88885216769 "source-unit" "angstrom" } "b" { "source-value" 4.7457564 "source-unit" "angstrom" } "c" { "source-value" 10.2278744809 "source-unit" "angstrom" } "beta" { "source-value" 90.9098436714 "source-unit" "degree" } }