{ "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" [ [ -6.0065727 -12.1165455 4.5546193 ] [ -4.2476807 12.1544594 -2.0402783 ] [ 3.4367938 -5.9119625 -19.287448 ] [ -37.569681 3.5451647 0.0220308 ] [ 17.3541369 -22.7988805 -10.5793728 ] [ 22.974716 18.9554798 6.8723233 ] [ 4.0582877 6.1722846 20.4581257 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.623590351075533e-09 -1.941284592495945e-08 7.297304559104461e-09 ] [ -6.805534710163378e-09 1.94735906891428e-08 -3.268886192185569e-09 ] [ 5.506350676870391e-09 -9.472008100546321e-09 -3.090189826049572e-08 ] [ -6.019326454911397e-08 5.679979999225446e-09 3.529723269752064e-11 ] [ 2.780439241534259e-08 -3.652783331751301e-08 -1.695002376288743e-08 ] [ 3.680955284471969e-08 3.037002657160666e-08 1.10106757218391e-08 ] [ 6.502093673420204e-09 9.88909008304388e-09 3.277753070192764e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 10.189942 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.632608683970799e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1148993 1.790839 3.9521773 ] [ 2.2647449 4.6967635 1.9853735 ] [ 3.4192464 3.0784399 0.7040527 ] [ 0.6131976 3.3682269 3.0324984 ] [ 3.3181303 1.11933 2.0299611 ] [ 3.7085369 5.1593742 3.8006069 ] [ 3.6075717 3.2002635 5.126525 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1148993e-10 1.790839e-10 3.9521773e-10 ] [ 2.2647449e-10 4.696763500000001e-10 1.9853735e-10 ] [ 3.4192464e-10 3.0784399e-10 7.040527e-11 ] [ 6.131976e-11 3.3682269e-10 3.0324984e-10 ] [ 3.3181303e-10 1.11933e-10 2.0299611e-10 ] [ 3.7085369e-10 5.159374200000001e-10 3.8006069e-10 ] [ 3.6075717e-10 3.2002635e-10 5.126525000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-07 1.96e-05 1.89e-05 ] [ 1.57e-05 1.4e-06 3.08e-05 ] [ -6.15e-05 -7.1e-06 -1.67e-05 ] [ 1.28e-05 1.34e-05 -2.9e-05 ] [ 5.51e-05 9e-07 6.3e-06 ] [ 5.7e-06 -2.8e-06 -1.36e-05 ] [ -2.81e-05 -2.54e-05 3.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.2043532416e-16 3.140266176767999e-14 3.028113813312e-14 ] [ 2.515417294656e-14 2.24304726912e-15 4.934703992064001e-14 ] [ -9.853386217920001e-14 -1.137545400768e-14 -2.675634956736e-14 ] [ 2.050786074624e-14 2.146916671872e-14 -4.64631220032e-14 ] [ 8.827993180608e-14 1.44195895872e-15 1.009371271104e-14 ] [ 9.13240673856e-15 -4.48609453824e-15 -2.178960204288e-14 ] [ -4.502116304448e-14 -4.069528616832e-14 5.28718284864e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }