{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.333874 0.653376 0.268288 ] [ 0.666126 0.346624 0.731712 ] [ 0.755235 0.00295 0.628954 ] [ 0.938766 0.677345 0.678547 ] [ 0.244765 0.99705 0.371046 ] [ 0.061234 0.322655 0.321453 ] [ 0.393985 0.653999 0.9457 ] [ 0.606015 0.346001 0.0543 ] [ 0.599234 0.352865 0.396615 ] [ 0.065792 0.328165 0.968907 ] [ 0.934208 0.671835 0.031093 ] [ 0.400766 0.647135 0.603385 ] [ 0.299311 0.037346 0.726784 ] [ 0.700689 0.962654 0.273216 ] [ 0.959755 0.264007 0.803816 ] [ 0.580689 0.909375 0.369538 ] [ 0.318102 0.449289 0.055279 ] [ 0.70421 0.427729 0.56543 ] [ 0.35447 0.232824 0.315329 ] [ 0.066534 0.696025 0.928498 ] [ 0.419311 0.090625 0.630462 ] [ 0.64553 0.767176 0.684671 ] [ 0.040245 0.735993 0.196184 ] [ 0.29579 0.572271 0.43457 ] [ 0.681898 0.550711 0.944721 ] [ 0.933466 0.303975 0.071502 ] [ 0.259133 0.610403 0.696985 ] [ 0.929848 0.10507 0.356157 ] [ 0.609809 0.886943 0.106137 ] [ 0.070152 0.89493 0.643843 ] [ 0.740867 0.389597 0.303015 ] [ 0.390191 0.113057 0.893863 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "B" "B" "B" "B" "B" "B" "O" "O" "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" 5.75930832 "source-unit" "angstrom" } "b" { "source-value" 8.12849556 "source-unit" "angstrom" } "c" { "source-value" 9.19497267 "source-unit" "angstrom" } "alpha" { "source-value" 109.99838048 "source-unit" "degree" } "beta" { "source-value" 105.19312607 "source-unit" "degree" } "gamma" { "source-value" 100.65121797 "source-unit" "degree" } }