{ "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" [ [ 0.112649 0.322883 0.639284 ] [ 0.44879 0.910536 0.710547 ] [ 0.55121 0.089464 0.289453 ] [ 0.887351 0.677117 0.360716 ] [ 0.005498 0.857331 0.808148 ] [ 0.267193 0.666913 0.018441 ] [ 0.373403 0.643462 0.350695 ] [ 0.338543 0.314901 0.072018 ] [ 0.661457 0.685099 0.927982 ] [ 0.626597 0.356538 0.649305 ] [ 0.732807 0.333087 0.981559 ] [ 0.994502 0.142669 0.191852 ] [ 0.072221 0.959734 0.672374 ] [ 0.139012 0.717126 0.853315 ] [ 0.224689 0.425732 0.955034 ] [ 0.217238 0.595389 0.480556 ] [ 0.233663 0.737669 0.213207 ] [ 0.189137 0.127751 0.123071 ] [ 0.417889 0.179976 0.551227 ] [ 0.495132 0.204835 0.976241 ] [ 0.537432 0.538319 0.746928 ] [ 0.462568 0.461681 0.253072 ] [ 0.504868 0.795165 0.023759 ] [ 0.582111 0.820024 0.448773 ] [ 0.810863 0.872249 0.876929 ] [ 0.766337 0.262331 0.786793 ] [ 0.782762 0.404611 0.519444 ] [ 0.775311 0.574268 0.044966 ] [ 0.860988 0.282874 0.146685 ] [ 0.927779 0.040266 0.327626 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "B" "B" "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" 6.12642044 "source-unit" "angstrom" } "b" { "source-value" 6.36865604 "source-unit" "angstrom" } "c" { "source-value" 7.41135314 "source-unit" "angstrom" } "alpha" { "source-value" 102.74725125 "source-unit" "degree" } "beta" { "source-value" 97.30106857 "source-unit" "degree" } "gamma" { "source-value" 102.36141667 "source-unit" "degree" } }