{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.41394 0 0 ] "si-unit" "m" "si-value" [ 5.413940000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0321649 5.43167 0 ] "si-unit" "m" "si-value" [ 3.216490000000001e-12 5.431670000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.034689 -0.0250046 5.52467 ] "si-unit" "m" "si-value" [ -3.4689e-12 -2.50046e-12 5.52467e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0104706 0.0216981 0.0176006 ] [ 1.39448 1.38403 1.49781 ] [ 0.0179868 2.6904 2.7801 ] [ 1.33759 4.02716 4.17727 ] [ 2.6683 -0.0231463 2.83015 ] [ 4.02805 1.42643 4.22871 ] [ 2.71964 2.8128 -0.0574889 ] [ 4.09713 4.0529 1.34951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.04706e-12 2.16981e-12 1.76006e-12 ] [ 1.39448e-10 1.38403e-10 1.49781e-10 ] [ 1.79868e-12 2.6904e-10 2.7801e-10 ] [ 1.33759e-10 4.02716e-10 4.17727e-10 ] [ 2.6683e-10 -2.31463e-12 2.83015e-10 ] [ 4.02805e-10 1.42643e-10 4.228710000000001e-10 ] [ 2.71964e-10 2.8128e-10 -5.74889e-12 ] [ 4.09713e-10 4.052900000000001e-10 1.34951e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.320289 0.01327 0.3695353 ] [ -0.2350317 -0.022705 -1.2596473 ] [ -0.2975187 0.3332046 0.5273456 ] [ -0.2544722 0.6847158 -0.5308542 ] [ 0.4620958 0.0050032 0.1620414 ] [ 0.1622925 -0.5611862 -0.9115521 ] [ 0.0682121 -0.80195 1.3103441 ] [ -0.2258667 0.3496478 0.3327872 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.131595476994112e-10 2.1260883758016e-11 5.920608182203142e-10 ] [ -3.765622948868794e-10 -3.6377420175264e-11 -2.018177454513844e-09 ] [ -4.76677505390809e-10 5.338526200630157e-10 8.449007914017484e-10 ] [ -4.077094094835417e-10 1.097035646652369e-09 -8.505221882934875e-10 ] [ 7.403590873298727e-10 8.016010069186562e-12 2.596189426817012e-10 ] [ 2.60021249231184e-10 -8.991194095555929e-10 -1.460467463261144e-09 ] [ 1.092878318756717e-10 -1.28486554105056e-09 2.099402682223217e-09 ] [ -3.618783461572474e-10 5.601975306741542e-10 5.331838715414938e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -37.265778 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.970635826752298e-18 } }