{ "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" [ [ 0.080782 0.385018 0.115181 ] [ 0.153982 0.771362 0.728965 ] [ 0.384626 0.923845 0.576668 ] [ 0.229152 0.153074 0.345517 ] [ 0.306248 0.543381 0.962367 ] [ 0.541073 0.694304 0.8098 ] [ 0.458927 0.305696 0.1902 ] [ 0.693752 0.456619 0.037633 ] [ 0.615374 0.076155 0.423332 ] [ 0.770848 0.846926 0.654483 ] [ 0 0 0.5 ] [ 0.846018 0.228638 0.271035 ] [ 0.919218 0.614982 0.884819 ] [ 0 0 0 ] [ 0.151497 0.771524 0.23135 ] [ 0.077782 0.385041 0.615756 ] [ 0.383243 0.926357 0.077764 ] [ 0.232671 0.155071 0.845672 ] [ 0.307551 0.538097 0.461012 ] [ 0.536672 0.692466 0.307608 ] [ 0.463328 0.307534 0.692392 ] [ 0.692449 0.461903 0.538988 ] [ 0.767329 0.844929 0.154328 ] [ 0.616757 0.073643 0.922236 ] [ 0.848503 0.228476 0.76865 ] [ 0.922218 0.614959 0.384244 ] [ 0.013299 0.012169 0.754475 ] [ 0.143732 0.757836 0.4622 ] [ 0.087924 0.392428 0.382487 ] [ 0.0676 0.377979 0.848657 ] [ 0.165172 0.778297 0.999011 ] [ 0.316519 0.54963 0.228673 ] [ 0.233366 0.152685 0.081778 ] [ 0.372956 0.916584 0.311399 ] [ 0.297534 0.530704 0.694186 ] [ 0.244402 0.164821 0.612957 ] [ 0.395158 0.932753 0.843328 ] [ 0.526342 0.683158 0.540049 ] [ 0.454833 0.298063 0.924269 ] [ 0.545167 0.701937 0.075731 ] [ 0.473658 0.316842 0.459951 ] [ 0.766634 0.847315 0.918222 ] [ 0.604842 0.067247 0.156672 ] [ 0.755598 0.835179 0.387043 ] [ 0.683481 0.45037 0.771327 ] [ 0.702466 0.469296 0.305814 ] [ 0.627044 0.083416 0.688601 ] [ 0.912076 0.607572 0.617513 ] [ 0.856268 0.242164 0.5378 ] [ 0.9324 0.622021 0.151343 ] [ 0.834828 0.221703 0.000989 ] [ 0.986701 0.987831 0.245525 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mg" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "O" "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" 7.59645584 "source-unit" "angstrom" } "b" { "source-value" 7.73107755 "source-unit" "angstrom" } "c" { "source-value" 8.01934421 "source-unit" "angstrom" } "alpha" { "source-value" 104.61934458 "source-unit" "degree" } "beta" { "source-value" 104.17152191 "source-unit" "degree" } "gamma" { "source-value" 89.09087293 "source-unit" "degree" } }