{ "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" [ [ 1.891577 1.147444 4.176951 ] [ 1.947528 5.315412 2.001915 ] [ 3.037668 3.274696 0.9821769 ] [ 1.344392 3.383525 2.90788 ] [ 3.679276 1.837825 2.704146 ] [ 4.016034 4.351153 3.141989 ] [ 3.129852 3.103182 4.716137 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.891577e-10 1.147444e-10 4.176951e-10 ] [ 1.947528e-10 5.315412000000001e-10 2.001915e-10 ] [ 3.037668e-10 3.274696e-10 9.821769000000001e-11 ] [ 1.344392e-10 3.383525e-10 2.90788e-10 ] [ 3.679276000000001e-10 1.837825e-10 2.704146e-10 ] [ 4.016034e-10 4.351153e-10 3.141989e-10 ] [ 3.129852e-10 3.103182e-10 4.716137e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4487624 -2.8319413 -0.0269535 ] [ 1.9716116 3.1415905 0.276296 ] [ -0.5355423 -1.2227853 -1.7510543 ] [ -12.8179209 -1.1865603 2.0687642 ] [ 7.8720047 -7.3767972 -2.5145679 ] [ 6.5800541 6.4836759 0.1777179 ] [ -0.6214447 2.9928177 1.7697975 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.923349867174098e-09 -4.537270142337959e-09 -4.318426754873279e-11 ] [ 3.158870010818081e-09 5.033382851227382e-09 4.426749916205568e-10 ] [ -8.580333525094598e-10 -1.959118019917914e-09 -2.80549826121131e-09 ] [ -2.053657319324369e-08 -1.901079171829434e-09 3.314525635188015e-09 ] [ 1.261234188916772e-08 -1.18189320102229e-08 -4.028781900794152e-09 ] [ 1.054240884261919e-08 1.03879939438244e-08 2.847354644776724e-10 ] [ -9.956641694600699e-10 4.795022549256428e-09 2.835528178050288e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.7090013 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.555553489417681e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1205185 1.5915157 3.8134081 ] [ 2.2462957 4.7613771 2.0159918 ] [ 2.8089042 2.9259882 0.3472296 ] [ 0.7346366 3.4567421 3.2788713 ] [ 4.0026171 1.970371 2.3606783 ] [ 4.2069869 4.2185422 3.3769032 ] [ 2.926368 3.4887007 5.4381126 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1205185e-10 1.5915157e-10 3.8134081e-10 ] [ 2.2462957e-10 4.7613771e-10 2.0159918e-10 ] [ 2.8089042e-10 2.9259882e-10 3.472296000000001e-11 ] [ 7.346366e-11 3.4567421e-10 3.2788713e-10 ] [ 4.0026171e-10 1.970371e-10 2.3606783e-10 ] [ 4.206986900000001e-10 4.2185422e-10 3.3769032e-10 ] [ 2.926368e-10 3.4887007e-10 5.4381126e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.1e-06 1.3e-06 2.27e-05 ] [ -1.33e-05 -8.7e-06 5.3e-06 ] [ -1.04e-05 2.84e-05 -3.9e-06 ] [ 9.7e-06 -1.06e-05 -1.9e-05 ] [ -2.8e-06 -2.95e-05 -5.9e-06 ] [ 2.62e-05 7.4e-06 8.1e-06 ] [ -1.45e-05 1.16e-05 -7.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.17110076608e-15 2.08282960704e-15 3.636940929216e-14 ] [ -2.130894905664e-14 -1.393893660096e-14 8.491536090240001e-15 ] [ -1.666263685632e-14 4.550181603071999e-14 -6.24848882112e-15 ] [ 1.554111322176e-14 -1.698307218048e-14 -3.04413557952e-14 ] [ -4.48609453824e-15 -4.72642103136e-14 -9.45284206272e-15 ] [ 4.197702746496e-14 1.185610699392e-14 1.297763062848e-14 ] [ -2.32315610016e-14 1.858524880128e-14 -1.169588933184e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.891963 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.026826143961863e-18 } }