{ "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" [ 5.43103 0 0 ] "si-unit" "m" "si-value" [ 5.43103e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00138287 5.43667 0 ] "si-unit" "m" "si-value" [ 1.38287e-13 5.43667e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0279747 -0.147199 5.47761 ] "si-unit" "m" "si-value" [ -2.79747e-12 -1.47199e-11 5.477610000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0723979 0.065909 0.162895 ] [ 1.32756 1.26807 1.42197 ] [ -0.0160699 2.71544 2.70238 ] [ 1.33005 4.08077 4.07687 ] [ 2.7682 0.027954 2.60436 ] [ 4.1716 1.44154 4.20195 ] [ 2.84836 2.7461 0.066427 ] [ 4.17903 4.06877 1.34805 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.239790000000001e-12 6.5909e-12 1.62895e-11 ] [ 1.32756e-10 1.26807e-10 1.42197e-10 ] [ -1.60699e-12 2.71544e-10 2.70238e-10 ] [ 1.33005e-10 4.08077e-10 4.07687e-10 ] [ 2.7682e-10 2.7954e-12 2.60436e-10 ] [ 4.1716e-10 1.44154e-10 4.20195e-10 ] [ 2.84836e-10 2.7461e-10 6.6427e-12 ] [ 4.17903e-10 4.06877e-10 1.34805e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7841196 0.2980683 -2.8906672 ] [ 0.7038318 2.0723128 -0.3706639 ] [ 0.8847129 -0.2650661 0.6647835 ] [ 0.758443 0.1740303 0.5571964 ] [ 0.7155076 -0.7133888 2.2079074 ] [ 0.0424557 -1.7157685 -1.1437891 ] [ -2.6059237 0.4517022 -0.0741521 ] [ -1.2831469 -0.3018902 1.049385 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.256298091031048e-09 4.775580616616006e-10 -4.631359406353398e-09 ] [ 1.127662854935581e-09 3.320211119144587e-09 -5.93869034754549e-10 ] [ 1.417466324500169e-09 -4.246827083866349e-10 1.065100581593597e-09 ] [ 1.215159642809415e-09 2.788272779708102e-10 8.927270452739251e-10 ] [ 1.146369548724718e-09 -1.142974856900567e-09 3.537457617171314e-09 ] [ 6.802152995969855e-11 -2.748964177405085e-09 -1.832552155145873e-09 ] [ -4.175150027728633e-09 7.237067044039258e-10 -1.188047610032237e-10 ] [ -2.055827964231996e-09 -4.836814204886362e-10 1.681300113218208e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.959958 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.761420399254993e-18 } }