{ "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" [ [ -0.8616759 0.0695288 2.2002965 ] [ -1.1391882 -1.6438154 0.6549004 ] [ -0.2758016 -0.1642654 -0.6761548 ] [ -0.5035523 -0.1171299 -0.4839527 ] [ -0.4281913 0.1423964 -2.2470404 ] [ 0.1007903 1.6165043 1.584301 ] [ 2.3017105 -0.4818316 -0.4096299 ] [ 0.8059085 0.5786129 -0.6227201 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.380556993060921e-09 1.113974187500592e-10 3.52526364017198e-09 ] [ -1.825180715768518e-09 -2.633682624489364e-09 1.049266118477254e-09 ] [ -4.418828791398143e-10 -2.631821856546636e-10 -1.083319421526943e-09 ] [ -8.06779729056958e-10 -1.876627889227566e-10 -7.753777079012117e-10 ] [ -6.860380957420841e-10 2.281441848457176e-10 -3.600155624534013e-09 ] [ 1.614838635938502e-10 2.589925418220525e-09 2.538330043422834e-09 ] [ 3.687746781332457e-09 -7.719793310428344e-10 -6.562994543677565e-10 ] [ 1.291207767841989e-09 9.270400685109785e-10 -9.977075937421433e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -0.2764046015624757 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.428489941534784e-20 } }