{ "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" [ [ 1.5943897 0.5885627 -1.8270055 ] [ 0.1506333 -0.556848 1.8380837 ] [ 0.110238 -1.2618119 -0.0011762 ] [ 0.4878052 0.875234 2.9002788 ] [ -0.6516287 1.0146995 -0.8168496 ] [ -0.5666655 0.4404941 0.1251079 ] [ 0.274677 -0.712796 -2.06878 ] [ -1.399449 -0.3875345 -0.1496592 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.554493901784326e-09 9.42981397814924e-10 -2.927185498173014e-09 ] [ 2.413411515739526e-10 -8.921688469392385e-10 2.944934731213561e-09 ] [ 1.766207463237504e-10 -2.021645526027228e-09 -1.88448014138496e-12 ] [ 7.815500869446681e-10 1.402279452529267e-09 4.646758887161879e-09 ] [ -1.044024268582297e-09 1.62572781603745e-09 -1.308737331829832e-09 ] [ -9.078982159139424e-10 7.057493486203373e-10 2.004449524573843e-10 ] [ 4.400810676714816e-10 -1.142025086599757e-09 -3.314550949578624e-09 ] [ -2.242164469801939e-09 -6.208987156534175e-10 -2.397804713276313e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.887168 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.74975815563219e-18 } }