{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.52208e-10 0.0 0.0 ] "source-value" [ 5.52208 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.68577e-12 5.456970000000001e-10 0.0 ] "source-value" [ -0.0968577 5.45697 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.37264e-11 1.47448e-11 5.57607e-10 ] "source-value" [ 0.137264 0.147448 5.57607 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -3.542755374385651e-10 2.61891790435968e-10 -6.876258471211718e-10 ] [ 6.652676325955699e-10 -9.949342177916333e-10 -4.902663664001242e-10 ] [ -1.21179090624652e-09 1.089242499351135e-09 5.888306699351193e-10 ] [ -1.804174242620602e-09 2.353579030924061e-09 -1.311272135461599e-09 ] [ -5.969700476041076e-10 -4.921098308200166e-10 -1.93549024063799e-10 ] [ 2.453968373847809e-09 -1.448281147665677e-09 -4.403765090403571e-10 ] [ -2.60449831477248e-12 -8.325746057872858e-10 1.324054620977666e-09 ] [ 8.5057938599885e-10 6.318648135344831e-11 1.210204430956604e-09 ] ] "source-value" [ [ -0.2211214 0.16346 -0.4291823 ] [ 0.4152274 -0.6209891 -0.3060002 ] [ -0.7563404 0.6798517 0.3675192 ] [ -1.126077 1.4689885 -0.8184317 ] [ -0.3725994 -0.3071508 -0.1208038 ] [ 1.5316466 -0.903946 -0.2748614 ] [ -0.0016256 -0.5196522 0.8264099 ] [ 0.5308899 0.0394379 0.7553502 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.38032e-12 3.41723e-12 -1.13332e-11 ] [ 1.31844e-10 1.45238e-10 1.31404e-10 ] [ 8.8982e-13 2.79356e-10 2.65987e-10 ] [ 1.44046e-10 4.10222e-10 4.12461e-10 ] [ 2.80067e-10 1.27474e-11 2.69388e-10 ] [ 4.04292e-10 1.57371e-10 4.10996e-10 ] [ 2.66616e-10 2.79739e-10 -1.10182e-11 ] [ 4.024460000000001e-10 4.16186e-10 1.2374e-10 ] ] "source-value" [ [ -0.0138032 0.0341723 -0.113332 ] [ 1.31844 1.45238 1.31404 ] [ 0.0088982 2.79356 2.65987 ] [ 1.44046 4.10222 4.12461 ] [ 2.80067 0.127474 2.69388 ] [ 4.04292 1.57371 4.10996 ] [ 2.66616 2.79739 -0.110182 ] [ 4.02446 4.16186 1.2374 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.567583344172217e-18 "source-value" -22.267104 } }