{ "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" [ [ 0.5 0 0.5 ] [ 0 1 0.5 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0.753345 0.289047 0.514394 ] [ 0.755448 0.79469 0.020849 ] [ 0.222091 0.753194 0.955834 ] [ 0.246655 0.710953 0.485606 ] [ 0.25073 0.225537 0.446467 ] [ 0.244552 0.20531 0.979151 ] [ 0.777909 0.246806 0.044166 ] [ 0.74927 0.774463 0.553533 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Ti" "Mn" "Mn" "Mn" "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" 5.88339672 "source-unit" "angstrom" } "b" { "source-value" 5.98680104 "source-unit" "angstrom" } "c" { "source-value" 6.01473111 "source-unit" "angstrom" } "alpha" { "source-value" 118.42887808 "source-unit" "degree" } "beta" { "source-value" 118.14175993 "source-unit" "degree" } "gamma" { "source-value" 91.88234381 "source-unit" "degree" } }