{ "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" [ [ 1.6275511 -0.5013349 -2.9889545 ] [ 1.2753292 2.674755 -1.2360713 ] [ 1.1335832 0.0387034 0.6890142 ] [ 1.8417882 -0.2386381 1.5515709 ] [ 0.9403526 -0.1629931 3.8351868 ] [ -1.5120319 -2.8621082 -1.9822823 ] [ -3.9494811 0.9417506 -0.7210302 ] [ -1.3570913 0.1098653 0.8525664 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.607624321577323e-09 -8.032270559711059e-10 -4.788833020534954e-09 ] [ 2.043302628063567e-09 4.285429927367905e-09 -1.980404538501863e-09 ] [ 1.81620050077165e-09 6.200968262547072e-11 1.103922442639215e-09 ] [ 2.950869994505315e-09 -3.823403846521325e-10 2.485890621493615e-09 ] [ 1.506610951028494e-09 -2.611437341717165e-10 6.144646627360765e-09 ] [ -2.422542160083804e-09 -4.585602844239971e-09 -3.175966356885652e-09 ] [ -6.327766282711467e-09 1.508850793944373e-09 -1.155217729330748e-09 ] [ -2.174299953151079e-09 1.760236150971783e-10 1.365961953759621e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.630979 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.708712153001577e-18 } }