{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0957514 -3.0009319 -2.1626988 ] [ 0.2074747 -0.2574526 1.3488908 ] [ -1.4963238 -0.2075636 -1.940354 ] [ -1.6998847 -1.8520434 4.1153135 ] [ 0.57451 5.023321 -1.4081091 ] [ 0.514606 1.033198 -1.4743672 ] [ 2.9953693 -0.7385275 1.5213247 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.755587275288869e-09 -4.808022930792923e-09 -3.465025455192215e-09 ] [ 3.324111137474938e-10 -4.12484536684174e-10 2.161161303772209e-09 ] [ -2.397375009506615e-09 -3.325535472490828e-10 -3.108789814875763e-09 ] [ -2.723515524395622e-09 -2.967300636186942e-09 6.593459076962622e-09 ] [ 9.20466490415808e-10 8.048247464973677e-09 -2.256039479555729e-09 ] [ 8.244897021234048e-10 1.655365680257319e-09 -2.362196658314358e-09 ] [ 4.799110663122062e-09 -1.183251494317872e-09 2.437430866985574e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.697843 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.515071705158894e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0446194 0.383984 2.3622245 ] [ 2.6758424 2.2299867 1.0230025 ] [ 0.924017 3.3017173 2.0811804 ] [ 2.7225234 2.6618437 5.15448 ] [ 2.3824684 4.3044811 3.5659757 ] [ 4.1057156 3.3988755 2.3689816 ] [ 4.3137667 1.6472447 3.8219088 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0446194e-10 3.83984e-11 2.3622245e-10 ] [ 2.6758424e-10 2.2299867e-10 1.0230025e-10 ] [ 9.24017e-11 3.3017173e-10 2.0811804e-10 ] [ 2.7225234e-10 2.6618437e-10 5.154480000000001e-10 ] [ 2.3824684e-10 4.304481100000001e-10 3.5659757e-10 ] [ 4.1057156e-10 3.3988755e-10 2.3689816e-10 ] [ 4.313766700000001e-10 1.6472447e-10 3.8219088e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.77e-05 -1.06e-05 -9.4e-06 ] [ -1.07e-05 6.5e-06 -3.1e-06 ] [ -2.2e-05 -3.2e-06 -1.42e-05 ] [ -3.41e-05 1.45e-05 4.55e-05 ] [ 1.3e-05 3.02e-05 1.49e-05 ] [ 7.5e-06 -1.63e-05 -1.96e-05 ] [ 1.85e-05 -2.12e-05 -1.42e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.438029239616e-14 -1.698307218048e-14 -1.506046023552e-14 ] [ -1.714328984256e-14 1.04141480352e-14 -4.96674752448e-15 ] [ -3.52478856576e-14 -5.126965186560001e-15 -2.275090801536e-14 ] [ -5.463422276928e-14 2.32315610016e-14 7.28990362464e-14 ] [ 2.08282960704e-14 4.838573394816e-14 2.387243164992e-14 ] [ 1.2016324656e-14 -2.611547891904e-14 -3.140266176767999e-14 ] [ 2.96402674848e-14 -3.396614436096001e-14 -2.275090801536e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.636824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985948369876434e-18 } }