{ "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" [ [ 1.1005737 -0.0124685 -2.2542642 ] [ 0.6919264 1.7689932 -0.5251465 ] [ 0.8313716 -0.054094 0.6404978 ] [ 0.7631414 -0.0832569 0.609204 ] [ 0.4077597 -0.5076818 2.1503335 ] [ -0.5535598 -1.6637477 -1.0597191 ] [ -2.125076 0.5278567 -0.3003662 ] [ -1.1161369 0.024399 0.7394607 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.763313451607353e-09 -1.99767391964448e-11 -3.611729398346416e-09 ] [ 1.108588301394309e-09 2.834239547394179e-09 -8.413774447949471e-10 ] [ 1.332004140717089e-09 -8.666814212555521e-11 1.026190600833834e-09 ] [ 1.222687309444581e-09 -1.333922587002835e-10 9.760524060978432e-10 ] [ 6.533030582444217e-10 -8.133959107656614e-10 3.445214060623037e-09 ] [ -8.869005697747239e-10 -2.665617667849772e-09 -1.697857166635217e-09 ] [ -3.404747084623181e-09 8.457196638726393e-10 -4.81239703318537e-10 ] [ -1.788248446792188e-09 3.90915073708992e-11 1.184746645540403e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.933677 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.674380111837868e-18 } }