{ "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" [ [ 0.906897 0.689402 0.649803 ] [ 0.567423 0.355514 0.985429 ] [ 0.09031 0.333335 0.358374 ] [ 0.243757 0.00664 0.309048 ] [ 0.330396 0.920315 0.840332 ] [ 0.35003 0.755457 0.494817 ] [ 0.021299 0.425649 0.829956 ] [ 0.981816 0.58555 0.166864 ] [ 0.658226 0.243759 0.514471 ] [ 0.680831 0.081391 0.163798 ] [ 0.868914 0.793636 0.931369 ] [ 0.792386 0.85954 0.391991 ] [ 0.461226 0.533675 0.72746 ] [ 0.547763 0.469668 0.285731 ] [ 0.19982 0.134566 0.604449 ] [ 0.128852 0.202459 0.058165 ] [ 0.996474 0.64702 0.974027 ] [ 0.654973 0.855088 0.989944 ] [ 0.949222 0.862953 0.834568 ] [ 0.032317 0.825279 0.346626 ] [ 0.632524 0.986889 0.34447 ] [ 0.302371 0.655252 0.668882 ] [ 0.72944 0.771909 0.484499 ] [ 0.39331 0.450445 0.821563 ] [ 0.70259 0.495044 0.686281 ] [ 0.312764 0.52357 0.337677 ] [ 0.602351 0.530976 0.17732 ] [ 0.257317 0.200164 0.496923 ] [ 0.701143 0.342921 0.340497 ] [ 0.323972 0.98745 0.640447 ] [ 0.996794 0.205524 0.673508 ] [ 0.078953 0.139672 0.170085 ] [ 0.362323 0.160494 0.010315 ] [ 0.961427 0.321438 0.00064 ] ] } "species" { "source-value" [ "Li" "Li" "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" 5.22870949 "source-unit" "angstrom" } "b" { "source-value" 7.93368557 "source-unit" "angstrom" } "c" { "source-value" 9.66854335 "source-unit" "angstrom" } "alpha" { "source-value" 105.13683066 "source-unit" "degree" } "beta" { "source-value" 103.42194841 "source-unit" "degree" } "gamma" { "source-value" 87.71284222 "source-unit" "degree" } }