{ "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" [ [ 0.801409 0.969639 0.860445 ] [ 0.301409 0.530361 0.360445 ] [ 0.198591 0.030361 0.139555 ] [ 0.698591 0.469639 0.639555 ] [ 0.913884 0.039046 0.304678 ] [ 0.586116 0.539046 0.195322 ] [ 0.086116 0.960954 0.695322 ] [ 0.413884 0.460954 0.804678 ] [ 0.997483 0.479776 0.192966 ] [ 0.502517 0.979776 0.307034 ] [ 0.002517 0.520224 0.807034 ] [ 0.497483 0.020224 0.692966 ] [ 0.109802 0.754241 0.978306 ] [ 0.390198 0.254241 0.521694 ] [ 0.890198 0.245759 0.021694 ] [ 0.609802 0.745759 0.478306 ] [ 0.250507 0.991993 0.968562 ] [ 0.249493 0.491993 0.531438 ] [ 0.750507 0.508007 0.468562 ] [ 0.749493 0.008007 0.031438 ] [ 0.060565 0.880366 0.492116 ] [ 0.439435 0.380366 0.007884 ] [ 0.939435 0.119634 0.507884 ] [ 0.560565 0.619634 0.992116 ] [ 0.050422 0.364667 0.098991 ] [ 0.993271 0.199844 0.803923 ] [ 0.493271 0.300156 0.303923 ] [ 0.006729 0.800156 0.196077 ] [ 0.550422 0.135333 0.598991 ] [ 0.949578 0.635333 0.901009 ] [ 0.449578 0.864667 0.401009 ] [ 0.506729 0.699844 0.696077 ] [ 0.620139 0.161201 0.773546 ] [ 0.879861 0.661201 0.726454 ] [ 0.379861 0.838799 0.226454 ] [ 0.120139 0.338799 0.273546 ] [ 0.321184 0.129306 0.713597 ] [ 0.178816 0.629306 0.786403 ] [ 0.135454 0.767776 0.56525 ] [ 0.821184 0.370694 0.213597 ] [ 0.709356 0.64825 0.512119 ] [ 0.790644 0.14825 0.987881 ] [ 0.290644 0.35175 0.487881 ] [ 0.209356 0.85175 0.012119 ] [ 0.574839 0.687071 0.906629 ] [ 0.925161 0.187071 0.593371 ] [ 0.425161 0.312929 0.093371 ] [ 0.074839 0.812929 0.406629 ] [ 0.635454 0.732224 0.06525 ] [ 0.864546 0.232224 0.43475 ] [ 0.364546 0.267776 0.93475 ] [ 0.678816 0.870694 0.286403 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "P" "P" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "O" "O" "O" "O" "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" 7.97836436921 "source-unit" "angstrom" } "b" { "source-value" 4.83200459 "source-unit" "angstrom" } "c" { "source-value" 14.2080463571 "source-unit" "angstrom" } "beta" { "source-value" 96.0435577113 "source-unit" "degree" } }