{ "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" [ [ 0.716514 0.25 0.259228 ] [ 0.216514 0.25 0.240772 ] [ 0.283486 0.75 0.740772 ] [ 0.783486 0.75 0.759228 ] [ 0.033475 0.25 0.625374 ] [ 0.533475 0.25 0.874626 ] [ 0.466525 0.75 0.125374 ] [ 0.966525 0.75 0.374626 ] [ 0.47409 0.25 0.557281 ] [ 0.97409 0.25 0.942719 ] [ 0.02591 0.75 0.057281 ] [ 0.52591 0.75 0.442719 ] [ 0.805576 0.25 0.03649 ] [ 0.305576 0.25 0.46351 ] [ 0.697972 0.25 0.530964 ] [ 0.197972 0.25 0.969036 ] [ 0.880737 0.25 0.813712 ] [ 0.380737 0.25 0.686288 ] [ 0.802028 0.75 0.030964 ] [ 0.119263 0.75 0.186288 ] [ 0.619263 0.75 0.313712 ] [ 0.302028 0.75 0.469036 ] [ 0.694424 0.75 0.53649 ] [ 0.194424 0.75 0.96351 ] [ 0.455432 0.040365 0.161464 ] [ 0.955432 0.040365 0.338536 ] [ 0.455432 0.459635 0.161464 ] [ 0.955432 0.459635 0.338536 ] [ 0.544568 0.540365 0.838536 ] [ 0.044568 0.540365 0.661464 ] [ 0.044568 0.959635 0.661464 ] [ 0.544568 0.959635 0.838536 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "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" 5.51881176 "source-unit" "angstrom" } "b" { "source-value" 6.60507851 "source-unit" "angstrom" } "c" { "source-value" 9.48367615 "source-unit" "angstrom" } }