{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.238994 0.842786 0.538189 ] [ 0.728272 0.260819 0.927759 ] [ 0.227928 0.728071 0.080857 ] [ 0.825368 0.1771 0.47439 ] [ 0.586001 0.566976 0.351596 ] [ 0.840957 0.842679 0.780008 ] [ 0.709739 0.734317 0.071385 ] [ 0.294874 0.274014 0.93558 ] [ 0.131226 0.148079 0.209899 ] [ 0.419185 0.413614 0.639916 ] [ 0.514303 0.68571 0.567278 ] [ 0.648659 0.464557 0.132597 ] [ 0.167605 0.988325 0.983498 ] [ 0.251071 0.429317 0.155124 ] [ 0.376373 0.16931 0.735867 ] [ 0.756545 0.573386 0.860084 ] [ 0.776506 0.000583 0.016903 ] [ 0.104945 0.291136 0.428872 ] [ 0.929498 0.706758 0.54808 ] [ 0.113543 0.848025 0.271915 ] [ 0.62128 0.872854 0.271487 ] [ 0.895466 0.14339 0.731056 ] [ 0.305969 0.577664 0.870351 ] [ 0.535695 0.26053 0.41731 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.39263337 "source-unit" "angstrom" } "b" { "source-value" 6.51801763 "source-unit" "angstrom" } "c" { "source-value" 8.01108448 "source-unit" "angstrom" } "alpha" { "source-value" 104.37764617 "source-unit" "degree" } "beta" { "source-value" 112.74383478 "source-unit" "degree" } "gamma" { "source-value" 102.1501278 "source-unit" "degree" } }