{ "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" [ [ 0.349303 0.718428 0.022788 ] [ 0.151174 0.78246 0.227648 ] [ 0.848998 0.218347 0.272962 ] [ 0.348573 0.717375 0.522884 ] [ 0.649877 0.28142 0.477045 ] [ 0.152514 0.779902 0.726548 ] [ 0.849712 0.218904 0.772182 ] [ 0.650534 0.281928 0.976959 ] [ 0.167854 0.419762 0.092618 ] [ 0.332282 0.080465 0.157381 ] [ 0.66759 0.91965 0.343009 ] [ 0.833768 0.580336 0.406606 ] [ 0.33138 0.083055 0.655914 ] [ 0.667794 0.921034 0.842711 ] [ 0.832155 0.580187 0.907106 ] [ 0.163717 0.421527 0.592358 ] [ 0.830724 0.904069 0.083197 ] [ 0.669335 0.595996 0.166828 ] [ 0.330635 0.404306 0.333787 ] [ 0.168593 0.09817 0.417261 ] [ 0.830531 0.903701 0.58364 ] [ 0.67132 0.592157 0.667034 ] [ 0.329956 0.405043 0.832505 ] [ 0.169524 0.095638 0.916814 ] [ 0.089758 0.877474 0.087708 ] [ 0.31862 0.188053 0.007006 ] [ 0.786795 0.483273 0.080079 ] [ 0.410392 0.622901 0.162727 ] [ 0.818472 0.688402 0.257063 ] [ 0.287426 0.984753 0.331148 ] [ 0.712959 0.016663 0.170019 ] [ 0.1821 0.312045 0.243377 ] [ 0.589851 0.377956 0.338208 ] [ 0.21308 0.517142 0.420416 ] [ 0.682199 0.810519 0.493427 ] [ 0.909076 0.122687 0.412604 ] [ 0.089897 0.877637 0.5881 ] [ 0.31567 0.192652 0.507309 ] [ 0.793635 0.478057 0.581979 ] [ 0.411816 0.614459 0.660105 ] [ 0.816328 0.688983 0.756493 ] [ 0.286189 0.982172 0.830187 ] [ 0.711597 0.016711 0.669837 ] [ 0.181359 0.313659 0.742017 ] [ 0.589 0.377623 0.837144 ] [ 0.213017 0.517153 0.919931 ] [ 0.682163 0.811748 0.992834 ] [ 0.91076 0.123414 0.9125 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Fe" "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" "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" 5.25475412 "source-unit" "angstrom" } "b" { "source-value" 8.2936413 "source-unit" "angstrom" } "c" { "source-value" 12.12627546 "source-unit" "angstrom" } "alpha" { "source-value" 103.29875791 "source-unit" "degree" } "beta" { "source-value" 90.6550186 "source-unit" "degree" } "gamma" { "source-value" 90.73619877 "source-unit" "degree" } }