{ "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 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.27043 0.983308 0.752678 ] [ 0.72957 0.483308 0.747322 ] [ 0.5 0 0.5 ] [ 0.27043 0.516692 0.252678 ] [ 0.72957 0.016692 0.247322 ] [ 0.479899 0.690414 0.827758 ] [ 0.520101 0.190414 0.672242 ] [ 0.479899 0.809586 0.327758 ] [ 0.520101 0.309586 0.172242 ] [ 0.27786 0.194934 0.922588 ] [ 0.773731 0.298336 0.923665 ] [ 0.978333 0.785578 0.818668 ] [ 0.021667 0.285578 0.681332 ] [ 0.226269 0.798336 0.576335 ] [ 0.72214 0.694934 0.577412 ] [ 0.27786 0.305066 0.422588 ] [ 0.773731 0.201664 0.423665 ] [ 0.978333 0.714422 0.318668 ] [ 0.021667 0.214422 0.181332 ] [ 0.226269 0.701664 0.076335 ] [ 0.72214 0.805066 0.077412 ] ] } "species" { "source-value" [ "Li" "Li" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.6301975 "source-unit" "angstrom" } "b" { "source-value" 4.68080695 "source-unit" "angstrom" } "c" { "source-value" 10.46063663 "source-unit" "angstrom" } "beta" { "source-value" 97.23590194 "source-unit" "degree" } }