{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.000562 0.925308 0.382923 ] [ 0.506735 0.95956 0.376024 ] [ 0.993265 0.95956 0.876024 ] [ 0.499438 0.925308 0.882923 ] [ 0.243902 0.75 0.106742 ] [ 0.256098 0.75 0.606742 ] [ 0.000562 0.574692 0.382923 ] [ 0.506735 0.54044 0.376024 ] [ 0.993265 0.54044 0.876024 ] [ 0.499438 0.574692 0.882923 ] [ 0.006735 0.45956 0.123976 ] [ 0.999438 0.425308 0.617077 ] [ 0.500562 0.425308 0.117077 ] [ 0.493265 0.45956 0.623976 ] [ 0.743902 0.25 0.393258 ] [ 0.756098 0.25 0.893258 ] [ 0.999438 0.074692 0.617077 ] [ 0.006735 0.04044 0.123976 ] [ 0.493265 0.04044 0.623976 ] [ 0.500562 0.074692 0.117077 ] [ 0.75631 0.75 0.097165 ] [ 0.74369 0.75 0.597165 ] [ 0.25631 0.25 0.402835 ] [ 0.24369 0.25 0.902835 ] [ 0.745532 0.004749 0.998881 ] [ 0.754468 0.004749 0.498881 ] [ 0.001401 0.75 0.228938 ] [ 0.498599 0.75 0.728938 ] [ 0.745532 0.495251 0.998881 ] [ 0.754468 0.495251 0.498881 ] [ 0.254468 0.504749 0.001119 ] [ 0.245532 0.504749 0.501119 ] [ 0.998599 0.25 0.771062 ] [ 0.501401 0.25 0.271062 ] [ 0.245532 0.995251 0.501119 ] [ 0.254468 0.995251 0.001119 ] [ 0.009504 0.75 0.741768 ] [ 0.490496 0.75 0.241768 ] [ 0.990496 0.25 0.258232 ] [ 0.509504 0.25 0.758232 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.35478743 "source-unit" "angstrom" } "b" { "source-value" 7.03464023 "source-unit" "angstrom" } "c" { "source-value" 9.51022441 "source-unit" "angstrom" } }