{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1250315 -0.3144023 2.6174973 ] [ -0.6519567 1.6174203 -2.2557572 ] [ -0.7822166 -0.2074496 -0.6543636 ] [ 1.1719668 -0.1524408 0.7301947 ] [ 1.7918588 -1.38705 0.5003576 ] [ -0.7612133 1.5803134 -0.8241632 ] [ -2.1104173 -2.6366101 -1.5286805 ] [ 1.2169468 1.5002191 1.4149148 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.003225461635552e-10 -5.037280145857479e-10 4.193692979067124e-09 ] [ -1.044549782513919e-09 2.591392990667322e-09 -3.61412144804127e-09 ] [ -1.253249148921665e-09 -3.323708991143117e-10 -1.048406061422523e-09 ] [ 1.877697807313789e-09 -2.442370858160486e-10 1.16990087697207e-09 ] [ 2.870874277134743e-09 -2.222299081880639e-09 8.016612487595981e-10 ] [ -1.219598152702017e-09 2.531941183016959e-09 -1.320455010763715e-09 ] [ -3.38126125819186e-09 -4.224315060385151e-09 -2.449216157772855e-09 ] [ 1.949763711717374e-09 2.403615968097617e-09 2.266943412983908e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.859718 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.424924856648094e-18 } }