{ "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" [ 5.43593 0 0 ] "si-unit" "m" "si-value" [ 5.43593e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00214695 5.43123 0 ] "si-unit" "m" "si-value" [ 2.14695e-13 5.43123e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0452237 0.0446124 5.47348 ] "si-unit" "m" "si-value" [ -4.52237e-12 4.461240000000001e-12 5.473480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0488145 -0.0723712 0.108622 ] [ 1.36095 1.35641 1.2952 ] [ -0.00863748 2.68477 2.74572 ] [ 1.30162 4.04466 3.93872 ] [ 2.7765 -0.0432881 2.8136 ] [ 4.0674 1.36091 4.19847 ] [ 2.70508 2.80909 0.166723 ] [ 4.1715 4.08924 1.48814 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.88145e-12 -7.23712e-12 1.08622e-11 ] [ 1.36095e-10 1.35641e-10 1.2952e-10 ] [ -8.63748e-13 2.68477e-10 2.74572e-10 ] [ 1.30162e-10 4.044660000000001e-10 3.93872e-10 ] [ 2.7765e-10 -4.328810000000001e-12 2.8136e-10 ] [ 4.0674e-10 1.36091e-10 4.19847e-10 ] [ 2.70508e-10 2.80909e-10 1.66723e-11 ] [ 4.1715e-10 4.089240000000001e-10 1.48814e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4839861 0.386458 -1.7136574 ] [ -0.013124 -0.6200525 1.8397322 ] [ -0.0562942 -1.4021868 -0.1733716 ] [ 0.5168871 0.6932787 2.9768395 ] [ -0.5113944 1.126484 -0.866555 ] [ -0.4995276 0.6300671 0.1070247 ] [ 0.5973658 -0.3610927 -1.9990596 ] [ -1.5178988 -0.4529557 -0.1709528 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.377607835012171e-09 6.191739725211264e-10 -2.745581822340914e-09 ] [ -2.10269659713792e-11 -9.93433619168592e-10 2.94757591937295e-09 ] [ -9.019325112663937e-11 -2.246550908954365e-09 -2.777719242306893e-10 ] [ 8.281444272131118e-10 1.110754924838617e-09 4.769422650773963e-09 ] [ -8.193441516880436e-10 1.804826328505267e-09 -1.388374161637344e-09 ] [ -8.003314421643341e-10 1.009478777155256e-09 1.714724721881338e-10 ] [ 9.570855188254885e-10 -5.785342818815481e-10 -3.2028465547058e-09 ] [ -2.431941970100375e-09 -7.257150327980986e-10 -2.738965794202982e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.156488 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.792907976383576e-18 } }