{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.740994 0.25 ] [ 0 0.259006 0.75 ] [ 0.5 0.240994 0.25 ] [ 0.5 0.759006 0.75 ] [ 0 0.899633 0.75 ] [ 0 0.100367 0.25 ] [ 0.5 0.399633 0.75 ] [ 0.5 0.600367 0.25 ] [ 0.295744 0.089581 0.765362 ] [ 0.295744 0.910419 0.265362 ] [ 0.704256 0.089581 0.734638 ] [ 0.704256 0.910419 0.234638 ] [ 0.795744 0.589581 0.765362 ] [ 0.795744 0.410419 0.265362 ] [ 0.204256 0.589581 0.734638 ] [ 0.204256 0.410419 0.234638 ] [ 0.115805 0.086964 0.651226 ] [ 0.870524 0.758044 0.827603 ] [ 0.115805 0.913036 0.151226 ] [ 0.355823 0.996435 0.55726 ] [ 0.129476 0.758044 0.672397 ] [ 0.355823 0.003565 0.05726 ] [ 0.644177 0.996435 0.94274 ] [ 0.870524 0.241956 0.327603 ] [ 0.644177 0.003565 0.44274 ] [ 0.884195 0.086964 0.848774 ] [ 0.129476 0.241956 0.172397 ] [ 0.884195 0.913036 0.348774 ] [ 0.615805 0.586964 0.651226 ] [ 0.370524 0.258044 0.827603 ] [ 0.615805 0.413036 0.151226 ] [ 0.855823 0.496435 0.55726 ] [ 0.629476 0.258044 0.672397 ] [ 0.855823 0.503565 0.05726 ] [ 0.144177 0.496435 0.94274 ] [ 0.370524 0.741956 0.327603 ] [ 0.144177 0.503565 0.44274 ] [ 0.384195 0.586964 0.848774 ] [ 0.629476 0.741956 0.172397 ] [ 0.384195 0.413036 0.348774 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 9.75340236 "source-unit" "angstrom" } "b" { "source-value" 8.70248814 "source-unit" "angstrom" } "c" { "source-value" 5.33971552 "source-unit" "angstrom" } "beta" { "source-value" 110.18821564 "source-unit" "degree" } }