{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.835977 0 0.664574 ] [ 0.664023 0.5 0.335426 ] [ 0.5 0 0 ] [ 0.335977 0.5 0.664574 ] [ 0.164023 0 0.335426 ] [ 0.834257 0 0.172798 ] [ 0.665743 0.5 0.827202 ] [ 0.334257 0.5 0.172798 ] [ 0.165743 0 0.827202 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.833108 0.5 0.400066 ] [ 0.6731 0 0.065211 ] [ 0.666892 0 0.599934 ] [ 0.008255 0 0.744141 ] [ 0.991745 0 0.255859 ] [ 0.8269 0.5 0.934789 ] [ 0.333108 0 0.400066 ] [ 0.1731 0.5 0.065211 ] [ 0.166892 0.5 0.599934 ] [ 0.508255 0.5 0.744141 ] [ 0.491745 0.5 0.255859 ] [ 0.3269 0 0.934789 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Ni" "Ni" "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" 12.89026891 "source-unit" "angstrom" } "b" { "source-value" 2.94485534 "source-unit" "angstrom" } "c" { "source-value" 5.89687388 "source-unit" "angstrom" } "beta" { "source-value" 103.24073838 "source-unit" "degree" } }