{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.500292 0.254605 0.246353 ] [ 0.000292 0.245395 0.753647 ] [ 0.499708 0.754605 0.253647 ] [ 0.999708 0.745395 0.746353 ] [ 0.498396 0.99864 0.976756 ] [ 0.998396 0.50136 0.023244 ] [ 0.501604 0.49864 0.523244 ] [ 0.001604 0.00136 0.476756 ] [ 0.051757 0.000515 0.156668 ] [ 0.551757 0.499485 0.843332 ] [ 0.948243 0.500515 0.343332 ] [ 0.448243 0.999485 0.656668 ] [ 0.19055 0.999672 0.301707 ] [ 0.715793 0.00112 0.15341 ] [ 0.298774 0.212915 0.576075 ] [ 0.201959 0.213628 0.076431 ] [ 0.701959 0.286372 0.923569 ] [ 0.80945 0.499672 0.198293 ] [ 0.215793 0.49888 0.84659 ] [ 0.798774 0.287085 0.423925 ] [ 0.701226 0.712915 0.923925 ] [ 0.284207 0.50112 0.34659 ] [ 0.69055 0.500328 0.698293 ] [ 0.798041 0.713628 0.423569 ] [ 0.298041 0.786372 0.576431 ] [ 0.201226 0.787085 0.076075 ] [ 0.784207 0.99888 0.65341 ] [ 0.30945 0.000328 0.801707 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Si" "Si" "Si" "Si" "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" 4.80163595 "source-unit" "angstrom" } "b" { "source-value" 5.9327245 "source-unit" "angstrom" } "c" { "source-value" 10.34762833 "source-unit" "angstrom" } }