{ "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" [ 5.31945 0 0 ] "si-unit" "m" "si-value" [ 5.31945e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00383334 5.41695 0 ] "si-unit" "m" "si-value" [ -3.83334e-13 5.416950000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0189848 -0.118491 5.47074 ] "si-unit" "m" "si-value" [ 1.89848e-12 -1.18491e-11 5.47074e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0147515 -0.0960157 0.0381768 ] [ 1.54242 1.27348 1.38773 ] [ -0.0738039 2.51333 2.6891 ] [ 1.45374 4.04036 4.07661 ] [ 2.81495 -0.0309523 2.80877 ] [ 4.27456 1.30079 3.98727 ] [ 2.73206 2.74248 -0.103972 ] [ 3.9224 4.04214 1.39211 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.47515e-12 -9.60157e-12 3.81768e-12 ] [ 1.54242e-10 1.27348e-10 1.38773e-10 ] [ -7.38039e-12 2.51333e-10 2.6891e-10 ] [ 1.45374e-10 4.04036e-10 4.07661e-10 ] [ 2.81495e-10 -3.09523e-12 2.80877e-10 ] [ 4.27456e-10 1.30079e-10 3.98727e-10 ] [ 2.73206e-10 2.74248e-10 -1.03972e-11 ] [ 3.9224e-10 4.04214e-10 1.39211e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.217673 0.9090122 -0.0274843 ] [ -1.5220605 0.2536775 -0.7696628 ] [ 3.7666277 3.8595171 -2.9229889 ] [ -1.5524335 -1.0706868 -0.2563775 ] [ -0.2433306 0.3600905 0.0484577 ] [ -2.6401873 -2.5707915 4.0726446 ] [ 0.242925 -0.7335926 0.1036385 ] [ 0.7307861 -1.0072265 -0.2482273 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.950927212379398e-09 1.456398094861974e-09 -4.403470289905344e-11 ] [ -2.438609748543158e-09 4.06436159722992e-10 -1.233135744059466e-09 ] [ 6.034802840197676e-09 6.183628065197816e-09 -4.683144478437909e-09 ] [ -2.487272659046717e-09 -1.715429359159166e-09 -4.107620365991519e-10 ] [ -3.898585984452365e-10 5.769285804721824e-10 7.763779403774015e-11 ] [ -4.230046366593076e-09 -4.118862038251363e-09 6.525095962947369e-09 ] [ 3.8920875560784e-10 -1.175344912911886e-09 1.660471817147808e-10 ] [ 1.170848404225611e-09 -1.613754750150211e-09 -3.977039767043078e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -16.76024403877592 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.685287115782935e-18 } }