{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.46402e-10 0.0 0.0 ] "source-value" [ 5.46402 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.22514e-12 5.464470000000001e-10 0.0 ] "source-value" [ 0.0122514 5.46447 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.848410000000001e-12 7.69758e-12 5.42124e-10 ] "source-value" [ -0.0384841 0.0769758 5.42124 ] } "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" [ [ -3.026232217088532e-09 -3.171619171060435e-10 -4.78235622154537e-10 ] [ 1.31157879206682e-09 1.786204069424047e-09 8.202567514912513e-11 ] [ 1.65282623031335e-09 -1.006010064771224e-09 4.288884220162349e-10 ] [ -1.313728752874272e-10 6.810854417197421e-10 -2.128042710843652e-09 ] [ -4.451378575220506e-10 -6.921635317466016e-10 -3.769365633454983e-10 ] [ 1.885679530803291e-09 4.186324088135079e-10 -1.580176492749147e-09 ] [ -7.587099376915297e-10 -1.256101824395e-09 2.928163787217675e-09 ] [ -4.88631825811584e-10 3.855152578439098e-10 1.124313504709799e-09 ] ] "source-value" [ [ -1.8888256 -0.1979569 -0.2984912 ] [ 0.8186231 1.1148609 0.0511964 ] [ 1.031613 -0.6279021 0.2676911 ] [ -0.0819965 0.4251001 -1.3282198 ] [ -0.2778332 -0.4320145 -0.2352653 ] [ 1.1769486 0.2612898 -0.9862686 ] [ -0.4735495 -0.7839971 1.8276161 ] [ -0.30498 0.2406197 0.7017413 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.84284e-11 -1.40014e-12 7.582920000000001e-14 ] [ 1.32272e-10 1.33713e-10 1.35336e-10 ] [ -1.67119e-11 2.81332e-10 2.70768e-10 ] [ 1.35941e-10 4.15239e-10 4.11153e-10 ] [ 2.7301e-10 3.28947e-12 2.73301e-10 ] [ 3.99842e-10 1.37193e-10 4.148240000000001e-10 ] [ 2.79546e-10 2.80288e-10 -1.67e-11 ] [ 4.150070000000001e-10 4.1513e-10 1.18971e-10 ] ] "source-value" [ [ 0.184284 -0.0140014 0.000758292 ] [ 1.32272 1.33713 1.35336 ] [ -0.167119 2.81332 2.70768 ] [ 1.35941 4.15239 4.11153 ] [ 2.7301 0.0328947 2.73301 ] [ 3.99842 1.37193 4.14824 ] [ 2.79546 2.80288 -0.167 ] [ 4.15007 4.1513 1.18971 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.901595793114758e-18 "source-value" -36.834864 } }