{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.43103e-10 0.0 0.0 ] "source-value" [ 5.43103 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.38287e-13 5.43667e-10 0.0 ] "source-value" [ 0.00138287 5.43667 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.79747e-12 -1.47199e-11 5.477610000000001e-10 ] "source-value" [ -0.0279747 -0.147199 5.47761 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.000319113245421e-10 -5.794496053850112e-11 -1.472851487451617e-09 ] [ 6.72369280467266e-10 9.252395347868333e-10 -2.442228264441235e-10 ] [ 4.323951059861799e-10 -8.262793334088384e-11 4.374711219561984e-10 ] [ 8.109030841613588e-10 2.050459230593357e-10 4.46849142370727e-10 ] [ 3.139288849029312e-10 -1.560894937988467e-10 1.375676431264518e-09 ] [ -5.417952504429695e-11 -8.24289750481129e-10 -7.00693840511065e-10 ] [ -1.938748747449373e-09 1.536471357580992e-10 -2.863909935799449e-10 ] [ -4.367001545662695e-10 -1.629804554449075e-10 4.441622921776454e-10 ] ] "source-value" [ [ 0.1248501 -0.0361664 -0.9192816 ] [ 0.4196599 0.5774891 -0.1524319 ] [ 0.2698798 -0.0515723 0.273048 ] [ 0.5061259 0.1279796 0.2789013 ] [ 0.195939 -0.0974234 0.8586297 ] [ -0.0338162 -0.5144812 -0.4373387 ] [ -1.2100718 0.095899 -0.1787512 ] [ -0.2725668 -0.1017244 0.2772243 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 2.39938349811845e-17 "source-value" 149.75774 } }