{ "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" [ [ 0.699237 0.25 0.271862 ] [ 0.199237 0.25 0.228138 ] [ 0.300763 0.75 0.728138 ] [ 0.800763 0.75 0.771862 ] [ 0.003663 0.25 0.576683 ] [ 0.503663 0.25 0.923317 ] [ 0.496337 0.75 0.076683 ] [ 0.996337 0.75 0.423317 ] [ 0.459239 0.25 0.560005 ] [ 0.959239 0.25 0.939995 ] [ 0.040761 0.75 0.060005 ] [ 0.540761 0.75 0.439995 ] [ 0.803817 0.25 0.047222 ] [ 0.303817 0.25 0.452778 ] [ 0.665171 0.25 0.518479 ] [ 0.165171 0.25 0.981521 ] [ 0.880948 0.25 0.799441 ] [ 0.380948 0.25 0.700559 ] [ 0.834829 0.75 0.018479 ] [ 0.119052 0.75 0.200559 ] [ 0.619052 0.75 0.299441 ] [ 0.334829 0.75 0.481521 ] [ 0.696183 0.75 0.547222 ] [ 0.196183 0.75 0.952778 ] [ 0.456242 0.050476 0.140805 ] [ 0.956242 0.050476 0.359195 ] [ 0.456242 0.449524 0.140805 ] [ 0.956242 0.449524 0.359195 ] [ 0.543758 0.550476 0.859195 ] [ 0.043758 0.550476 0.640805 ] [ 0.043758 0.949524 0.640805 ] [ 0.543758 0.949524 0.859195 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "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" 5.93161178 "source-unit" "angstrom" } "b" { "source-value" 6.46656497 "source-unit" "angstrom" } "c" { "source-value" 8.56993479 "source-unit" "angstrom" } }