{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pna2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.750317 0.479615 0.159942 ] [ 0.250317 0.979615 0.340058 ] [ 0.750317 0.020385 0.659942 ] [ 0.250317 0.520385 0.840058 ] [ 0.251909 0.202188 0.083655 ] [ 0.751909 0.702188 0.416345 ] [ 0.251909 0.297812 0.583655 ] [ 0.751909 0.797812 0.916345 ] [ 0.750679 0.97982 0.179614 ] [ 0.250679 0.47982 0.320386 ] [ 0.750679 0.52018 0.679614 ] [ 0.250679 0.02018 0.820386 ] [ 0.81481 0.783288 0.096841 ] [ 0.87028 0.179739 0.118255 ] [ 0.365436 0.449953 0.186944 ] [ 0.450719 0.004167 0.186765 ] [ 0.950719 0.504167 0.313235 ] [ 0.865436 0.949953 0.313056 ] [ 0.37028 0.679739 0.381745 ] [ 0.31481 0.283288 0.403159 ] [ 0.81481 0.716712 0.596841 ] [ 0.87028 0.320261 0.618255 ] [ 0.365436 0.050047 0.686944 ] [ 0.450719 0.495833 0.686765 ] [ 0.950719 0.995833 0.813235 ] [ 0.865436 0.550047 0.813056 ] [ 0.37028 0.820261 0.881745 ] [ 0.31481 0.216712 0.903159 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "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" 5.12208264 "source-unit" "angstrom" } "b" { "source-value" 6.38064782 "source-unit" "angstrom" } "c" { "source-value" 10.68921975 "source-unit" "angstrom" } }