{ "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" [ [ 0.589619 0.754903 0.481624 ] [ 0.721221 0.451555 0.671466 ] [ 0.410381 0.254903 0.018376 ] [ 0.835801 0.222052 0.534669 ] [ 0.721221 0.048445 0.171466 ] [ 0.164199 0.722052 0.965331 ] [ 0.835801 0.277948 0.034669 ] [ 0.278779 0.951555 0.828534 ] [ 0.164199 0.777948 0.465331 ] [ 0.589619 0.745097 0.981624 ] [ 0.278779 0.548445 0.328534 ] [ 0.410381 0.245097 0.518376 ] [ 0.816851 0.960943 0.814544 ] [ 0.816851 0.539057 0.314544 ] [ 0.183149 0.460943 0.685456 ] [ 0.183149 0.039057 0.185456 ] [ 0.458205 0.845515 0.188946 ] [ 0.541795 0.345515 0.311054 ] [ 0.066967 0.332486 0.881489 ] [ 0.933033 0.832486 0.618511 ] [ 0.066967 0.167514 0.381489 ] [ 0.933033 0.667514 0.118511 ] [ 0.458205 0.654485 0.688946 ] [ 0.541795 0.154485 0.811054 ] [ 0.373836 0.286847 0.291729 ] [ 0.37854 0.803682 0.288171 ] [ 0.342812 0.964071 0.060907 ] [ 0.657188 0.464071 0.439093 ] [ 0.62146 0.303682 0.211829 ] [ 0.015931 0.194716 0.966087 ] [ 0.778862 0.949437 0.563372 ] [ 0.626164 0.786847 0.208271 ] [ 0.964393 0.357116 0.723605 ] [ 0.035607 0.857116 0.776395 ] [ 0.221138 0.449437 0.936628 ] [ 0.984069 0.694716 0.533913 ] [ 0.015931 0.305284 0.466087 ] [ 0.778862 0.550563 0.063372 ] [ 0.964393 0.142884 0.223605 ] [ 0.035607 0.642884 0.276395 ] [ 0.373836 0.213153 0.791729 ] [ 0.221138 0.050563 0.436628 ] [ 0.984069 0.805284 0.033913 ] [ 0.37854 0.696318 0.788171 ] [ 0.342812 0.535929 0.560907 ] [ 0.657188 0.035929 0.939093 ] [ 0.62146 0.196318 0.711829 ] [ 0.626164 0.713153 0.708271 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.22294813 "source-unit" "angstrom" } "b" { "source-value" 6.50210059 "source-unit" "angstrom" } "c" { "source-value" 9.52735969 "source-unit" "angstrom" } "beta" { "source-value" 115.6563883 "source-unit" "degree" } }