{ "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" [ [ 0.5319008 -0.1946545 -4.2781488 ] [ 1.9621921 2.5676847 -0.647986 ] [ 1.3255804 -0.2156705 1.3465591 ] [ 2.3906052 0.6767688 1.2238875 ] [ 0.909434 -0.4199851 3.9714038 ] [ -0.1358272 -2.2857849 -1.9996206 ] [ -5.6892763 0.4111212 -0.880821 ] [ -1.2946088 -0.5394797 1.2647259 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.52199033365907e-10 -3.118708916029529e-10 -6.854350044135139e-09 ] [ 3.143778334039391e-09 4.113884429819299e-09 -1.038188028359124e-09 ] [ 2.123813943368373e-09 -3.455422357430969e-10 2.157425526320069e-09 ] [ 3.830171792558896e-09 1.084303157980219e-09 1.960883955144675e-09 ] [ 1.457073904965156e-09 -6.728903138481533e-10 6.362890372538808e-09 ] [ -2.176191661016448e-10 -3.662231157130026e-09 -3.20374540218506e-09 ] [ -9.115225552229972e-09 6.586887803820408e-10 -1.411230824936514e-09 ] [ -2.074191969530779e-09 -8.643417698573297e-10 2.02631428539462e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -326.39233 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.229381646428172e-17 } }