{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.061869 2.942366 1.677644 ] [ 1.882152 2.580028 5.41738 ] [ 1.143094 3.952812 3.395101 ] [ 3.99886 1.876175 2.533949 ] [ 4.004626 1.895608 4.810911 ] [ 3.218518 3.766044 3.544324 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.061869e-10 2.942366e-10 1.677644e-10 ] [ 1.882152e-10 2.580028e-10 5.41738e-10 ] [ 1.143094e-10 3.952812e-10 3.395101e-10 ] [ 3.99886e-10 1.876175e-10 2.533949e-10 ] [ 4.004626e-10 1.895608e-10 4.810911e-10 ] [ 3.218518e-10 3.766044e-10 3.544324e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6871363 -1.1064445 -1.7184598 ] [ -0.0303223 0.5221055 -0.7332188 ] [ -5.1529234 0.9494749 1.5790276 ] [ 0.2697993 -0.8726609 -1.2756601 ] [ 0.1619085 -0.2997671 0.8485446 ] [ 4.0644016 0.8072922 1.2997666 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.100913715163015e-09 -1.772719510112746e-09 -2.753276115344644e-09 ] [ -4.858168014888384e-11 8.365052256910945e-10 -1.174746019291031e-09 ] [ -8.255893400253247e-09 1.521226486816418e-09 2.529881104317934e-09 ] [ 4.322661307682055e-10 -1.398156891866287e-09 -2.04383278830739e-09 ] [ 2.594060134087968e-10 -4.802798393050157e-10 1.359518319826088e-09 ] [ 6.511889221062114e-09 1.293424688994198e-09 2.082455659016706e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.342219279081938 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.559178832132112e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.1862434 3.0309864 1.6218838 ] [ 1.960326 2.9158613 5.4364906 ] [ 0.8952566 3.7074068 3.4815719 ] [ 4.0491836 1.8213874 2.4274526 ] [ 3.909558 1.7502333 4.7850077 ] [ 3.3085514 3.7871578 3.6269025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1862434e-10 3.0309864e-10 1.6218838e-10 ] [ 1.960326e-10 2.9158613e-10 5.4364906e-10 ] [ 8.952566e-11 3.7074068e-10 3.4815719e-10 ] [ 4.0491836e-10 1.8213874e-10 2.4274526e-10 ] [ 3.909558e-10 1.7502333e-10 4.785007700000001e-10 ] [ 3.3085514e-10 3.7871578e-10 3.6269025e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.41e-05 8.6e-06 3e-07 ] [ 3e-06 2.7e-06 -2.3e-06 ] [ 2.9e-06 9e-07 -7.8e-06 ] [ 1.17e-05 -8.4e-06 -1.2e-06 ] [ 1.6e-06 5.1e-06 6e-07 ] [ -5.2e-06 -8.8e-06 1.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.259069035328e-14 1.377871893888e-14 4.8065298624e-16 ] [ 4.8065298624e-15 4.32587687616e-15 -3.68500622784e-15 ] [ 4.646312200320001e-15 1.44195895872e-15 -1.249697764224e-14 ] [ 1.874546646336e-14 -1.345828361472e-14 -1.92261194496e-15 ] [ 2.56348259328e-15 8.17110076608e-15 9.6130597248e-16 ] [ -8.33131842816e-15 -1.409915426304e-14 1.650241919424e-14 ] ] } "relaxed-potential-energy" { "source-value" -6.282456279081938 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.006560457154324e-18 } }