{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2302401 -2.7572288 -1.9266965 ] [ -5.7923852 -2.4722477 4.4964265 ] [ -2.4607935 0.6249421 -1.9276547 ] [ 3.4504182 -0.9907139 -8.3113759 ] [ 3.8710832 -9.4689104 7.1274321 ] [ -3.5304653 11.5218964 -2.1831748 ] [ 5.6923827 3.5422624 2.7250433 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.971061926190654e-09 -4.417567521556439e-09 -3.086908087677187e-09 ] [ -9.280424146107933e-09 -3.960977465766572e-09 7.204069415445571e-09 ] [ -3.942625814316605e-09 1.001267621973656e-09 -3.088443293315238e-09 ] [ 5.528179372022819e-09 -1.587298648481589e-09 -1.331629215366056e-08 ] [ 6.202159000211651e-09 -1.517086686732998e-08 1.141940507695945e-08 ] [ -5.656428964205659e-09 1.846011303935968e-08 -3.497831623679717e-09 ] [ 9.12020247858638e-09 5.675330002018898e-09 4.366000665927681e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.783793 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.20840708905467e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.2150842 0.9526472 1.8169987 ] [ 1.8235144 2.8985044 4.2138804 ] [ 1.5910624 2.8514393 1.7248848 ] [ 4.1743178 3.1460578 1.0957755 ] [ 3.7326941 1.3958452 4.1499565 ] [ 3.0750766 4.6831451 2.9891415 ] [ 5.0937584 3.2714778 3.4174637 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.215084200000001e-10 9.526472e-11 1.8169987e-10 ] [ 1.8235144e-10 2.8985044e-10 4.2138804e-10 ] [ 1.5910624e-10 2.8514393e-10 1.7248848e-10 ] [ 4.1743178e-10 3.1460578e-10 1.0957755e-10 ] [ 3.7326941e-10 1.3958452e-10 4.1499565e-10 ] [ 3.0750766e-10 4.6831451e-10 2.9891415e-10 ] [ 5.093758399999999e-10 3.2714778e-10 3.4174637e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.1e-06 -1.78e-05 1.7e-06 ] [ -6.3e-06 -1e-05 1.34e-05 ] [ -5.1e-06 9.6e-06 -7.1e-06 ] [ -3.2e-06 1.2e-05 -1.38e-05 ] [ 1.4e-06 -4.3e-06 5.8e-06 ] [ -1.3e-06 1.58e-05 -1.31e-05 ] [ 1.23e-05 -5.3e-06 1.31e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.36457090368e-15 -2.851874385024e-14 2.72370025536e-15 ] [ -1.009371271104e-14 -1.6021766208e-14 2.146916671872e-14 ] [ -8.17110076608e-15 1.538089555968e-14 -1.137545400768e-14 ] [ -5.126965186560001e-15 1.92261194496e-14 -2.211003736704e-14 ] [ 2.24304726912e-15 -6.889359469440001e-15 9.292624400640001e-15 ] [ -2.08282960704e-15 2.531439060864e-14 -2.098851373248e-14 ] [ 1.970677243584e-14 -8.491536090240001e-15 2.098851373248e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }