{ "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" [ [ 3.317680801607357e-09 7.262203593042989e-10 -1.034445912003103e-08 ] [ 1.617981772728868e-09 9.249601632494643e-09 -2.320418300750377e-09 ] [ 2.897346240351911e-09 -6.636649753217838e-10 1.151133140253681e-09 ] [ 2.171777486279291e-09 3.946186651856333e-10 2.434977774361467e-09 ] [ 3.961187030468573e-09 -3.232596731506787e-09 8.25032839997856e-09 ] [ 7.592674951555681e-10 -8.172878701476103e-09 -5.155514211548373e-09 ] [ -1.011766589239161e-08 2.546552873580993e-09 1.559435675522243e-09 ] [ -4.60757493419996e-09 -8.478532824785588e-10 4.424516642213835e-09 ] ] "source-value" [ [ 2.0707335 0.4532711 -6.4565036 ] [ 1.0098648 5.7731473 -1.4482912 ] [ 1.8083813 -0.4142271 0.7184808 ] [ 1.3555169 0.2463016 1.5197936 ] [ 2.4723785 -2.0176282 5.14945 ] [ 0.4738975 -5.1011097 -3.2178189 ] [ -6.3149504 1.5894333 0.9733232 ] [ -2.8758221 -0.5291884 2.7615661 ] ] } "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" -5.563785985025816e-18 "source-value" -34.726421 } }