{ "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" [ [ 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 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.317680828941039e-09 7.262203652874774e-10 -1.034445920525688e-08 ] [ 1.617981786059083e-09 9.249601708700187e-09 -2.32041831986782e-09 ] [ 2.897346264222544e-09 -6.636649807895813e-10 1.151133149737627e-09 ] [ 2.171777504172114e-09 3.946186684368144e-10 2.434977794422742e-09 ] [ 3.961187063103969e-09 -3.232596758139478e-09 8.250328467951299e-09 ] [ 7.592675014110151e-10 -8.172878768810749e-09 -5.155514254023583e-09 ] [ -1.011766597574895e-08 2.546552894561512e-09 1.559435688370109e-09 ] [ -4.60757497216081e-09 -8.478532894638455e-10 4.424516678666507e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.726421 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.563786030864692e-18 } }