{ "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" [ [ 0.482329 0.690832 0.940916 ] [ 0.434685 0.291757 0.056975 ] [ 0.487164 0.209392 0.468422 ] [ 0.567476 0.803418 0.549208 ] [ 0.014312 0.940687 0.194887 ] [ 0.031618 0.555578 0.289398 ] [ 0.013533 0.464511 0.709784 ] [ 0.986476 0.061459 0.792044 ] [ 0.198366 0.096282 0.013033 ] [ 0.242344 0.732605 0.14166 ] [ 0.208829 0.244697 0.660437 ] [ 0.263577 0.339751 0.276252 ] [ 0.250289 0.4894 0.906658 ] [ 0.737095 0.658158 0.734254 ] [ 0.730455 0.02829 0.601226 ] [ 0.810034 0.762767 0.342694 ] [ 0.285732 0.604565 0.516382 ] [ 0.302641 0.963653 0.405474 ] [ 0.25983 0.852756 0.746489 ] [ 0.727615 0.136167 0.239962 ] [ 0.715654 0.488999 0.103201 ] [ 0.793783 0.419207 0.484145 ] [ 0.712284 0.268197 0.85806 ] [ 0.743879 0.896873 0.968436 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "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" 4.66507899 "source-unit" "angstrom" } "b" { "source-value" 7.63951032 "source-unit" "angstrom" } "c" { "source-value" 7.66857035 "source-unit" "angstrom" } "alpha" { "source-value" 84.7938963 "source-unit" "degree" } "beta" { "source-value" 88.62041541 "source-unit" "degree" } "gamma" { "source-value" 89.05033241 "source-unit" "degree" } }