{ "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" [ [ 0.986113 0.861229 0.309867 ] [ 0 0.5 0 ] [ 0.513887 0.361229 0.190133 ] [ 0.5 0 0.5 ] [ 0.486113 0.638771 0.809867 ] [ 0.013887 0.138771 0.690133 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.97151 0.818537 0.779721 ] [ 0.52849 0.318537 0.720279 ] [ 0.47151 0.681463 0.279721 ] [ 0.02849 0.181463 0.220279 ] [ 0.717219 0.143581 0.191668 ] [ 0.846721 0.902028 0.591631 ] [ 0.782781 0.643581 0.308332 ] [ 0.831408 0.866425 0.978034 ] [ 0.928616 0.644162 0.754701 ] [ 0.668592 0.366425 0.521966 ] [ 0.653279 0.402028 0.908369 ] [ 0.571384 0.144162 0.745299 ] [ 0.071384 0.355838 0.245299 ] [ 0.346721 0.597972 0.091631 ] [ 0.331408 0.633575 0.478034 ] [ 0.282781 0.856419 0.808332 ] [ 0.168592 0.133575 0.021966 ] [ 0.217219 0.356419 0.691668 ] [ 0.153279 0.097972 0.408369 ] [ 0.428616 0.855838 0.254701 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "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" 4.93236167468 "source-unit" "angstrom" } "b" { "source-value" 8.86573069 "source-unit" "angstrom" } "c" { "source-value" 6.50284391971 "source-unit" "angstrom" } "beta" { "source-value" 94.2918176123 "source-unit" "degree" } }