{ "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" [ 5.43856 0 0 ] "si-unit" "m" "si-value" [ 5.43856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00547847 5.34673 0 ] "si-unit" "m" "si-value" [ -5.47847e-13 5.34673e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698619 0.130192 5.52638 ] "si-unit" "m" "si-value" [ -6.986190000000001e-12 1.30192e-11 5.526379999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0176967 -0.0436428 -0.0335652 ] [ 1.35227 1.24207 1.37266 ] [ -0.0530244 2.758 2.7242 ] [ 1.3158 4.14206 3.88387 ] [ 2.73162 0.0656859 2.694 ] [ 4.07939 1.42095 3.99542 ] [ 2.69114 2.74306 -0.00706676 ] [ 4.05369 4.20359 1.27338 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.76967e-12 -4.36428e-12 -3.35652e-12 ] [ 1.35227e-10 1.24207e-10 1.37266e-10 ] [ -5.30244e-12 2.758e-10 2.7242e-10 ] [ 1.3158e-10 4.14206e-10 3.88387e-10 ] [ 2.73162e-10 6.568590000000001e-12 2.694e-10 ] [ 4.07939e-10 1.42095e-10 3.99542e-10 ] [ 2.69114e-10 2.74306e-10 -7.06676e-13 ] [ 4.05369e-10 4.20359e-10 1.27338e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2279545 0.7425971 -1.5949607 ] [ -0.5158753 1.7911895 -0.4950192 ] [ 0.3084083 -0.1573017 -1.7648687 ] [ -0.2570296 -0.3530565 2.5377702 ] [ 0.387349 0.2852488 -0.351811 ] [ -0.947951 0.520769 1.7607361 ] [ 0.2489762 -0.7001133 -1.0252503 ] [ -0.4518322 -2.1293329 0.9334036 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.967399991306154e-09 1.18977171229388e-09 -2.555408744634802e-09 ] [ -8.265233449081863e-10 2.869801940322442e-09 -7.931081890871194e-10 ] [ 4.941245679206727e-10 -2.520251061520954e-10 -2.827631369921689e-09 ] [ -4.118068159735757e-10 -5.656588701214751e-10 4.06595608340294e-09 ] [ 6.206015118902592e-10 4.570189584712551e-10 -5.636633591402689e-10 ] [ -1.518784929863981e-09 8.343639166373953e-10 2.821010214818571e-09 ] [ 3.98903846775625e-10 -1.121705161171137e-09 -1.642632061128186e-09 ] [ -7.239149873646298e-10 -3.411567390280264e-09 1.495477425690555e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.842562 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.499564217477449e-18 } }