{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.250017 0 ] [ 0.5 0.750017 0 ] [ 0 0.874814 0 ] [ 0.5 0.374814 0 ] [ 0.292461 0.039727 0.588524 ] [ 0.707539 0.039727 0.411476 ] [ 0.792461 0.539727 0.588524 ] [ 0.207539 0.539727 0.411476 ] [ 0.130271 0.056044 0.288584 ] [ 0.249363 0.906067 0.802226 ] [ 0.832489 0.702813 0.741619 ] [ 0 0.471012 0.5 ] [ 0.869729 0.056044 0.711416 ] [ 0.750637 0.906067 0.197774 ] [ 0.167511 0.702813 0.258381 ] [ 0.630271 0.556044 0.288584 ] [ 0.749363 0.406067 0.802226 ] [ 0.332489 0.202813 0.741619 ] [ 0.5 0.971012 0.5 ] [ 0.369729 0.556044 0.711416 ] [ 0.250637 0.406067 0.197774 ] [ 0.667511 0.202813 0.258381 ] ] } "species" { "source-value" [ "Li" "Li" "V" "V" "P" "P" "P" "P" "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" 6.59115290083 "source-unit" "angstrom" } "b" { "source-value" 8.28856812551 "source-unit" "angstrom" } "c" { "source-value" 4.55546787948 "source-unit" "angstrom" } "beta" { "source-value" 103.128267769 "source-unit" "degree" } }