{ "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" [ [ 1.999551 1.685791 2.486539 ] [ 2.806467 1.943327 4.558328 ] [ 1.52714 3.922099 3.002179 ] [ 4.336396 2.072479 2.061694 ] [ 5.046676 1.88237 4.081611 ] [ 3.556935 4.352885 1.849563 ] [ 3.300335 4.140991 4.307093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.999551e-10 1.685791e-10 2.486539e-10 ] [ 2.806467e-10 1.943327e-10 4.558328e-10 ] [ 1.52714e-10 3.922099e-10 3.002179e-10 ] [ 4.336396e-10 2.072479e-10 2.061694e-10 ] [ 5.046676e-10 1.88237e-10 4.081611e-10 ] [ 3.556935e-10 4.352885e-10 1.849563e-10 ] [ 3.300335e-10 4.140991e-10 4.307093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8830428 1.4076372 -1.7982046 ] [ -0.761197 0.0740752 -0.4758351 ] [ -1.4072797 -1.2292956 -0.1600074 ] [ -2.8806674 1.5962385 -0.2048262 ] [ 0.6961431 1.4800121 2.8292675 ] [ -0.5935396 -1.8593782 0.8611879 ] [ 4.0634979 -1.4692892 -1.051582 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.41479052932577e-09 2.255283412408374e-09 -2.881041369535016e-09 ] [ -1.219572037223098e-09 1.186815536210842e-10 -7.6237187257603e-10 ] [ -2.254710634266438e-09 -1.969548670372308e-09 -2.563601154349939e-10 ] [ -4.615337960580722e-09 2.557456005920861e-09 -3.28167748967305e-10 ] [ 1.115344199551237e-09 2.371240785121112e-09 4.532986242489264e-09 ] [ -9.509552706389836e-10 -2.979052281265187e-09 1.379775119495848e-09 ] [ 6.510441334049897e-09 -2.354060805433935e-09 -1.684820095254106e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.699291 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.957262659053585e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9515746 1.9924688 1.9624853 ] [ 2.7075122 1.8529328 4.2501714 ] [ 1.5312493 3.8186908 3.4907303 ] [ 4.3254098 2.1451584 2.3699234 ] [ 5.0688468 2.0576476 4.6549352 ] [ 3.09764 4.101613 1.6703387 ] [ 3.8912672 4.0314306 3.9484228 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9515746e-10 1.9924688e-10 1.9624853e-10 ] [ 2.7075122e-10 1.8529328e-10 4.2501714e-10 ] [ 1.5312493e-10 3.8186908e-10 3.4907303e-10 ] [ 4.3254098e-10 2.1451584e-10 2.3699234e-10 ] [ 5.068846800000001e-10 2.0576476e-10 4.6549352e-10 ] [ 3.09764e-10 4.101613000000001e-10 1.6703387e-10 ] [ 3.8912672e-10 4.031430600000001e-10 3.9484228e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.57e-05 -1.86e-05 -2.81e-05 ] [ 3.25e-05 2.07e-05 -4.9e-06 ] [ -1.8e-06 5.7e-06 -2.1e-06 ] [ -1.33e-05 9.2e-06 6e-06 ] [ 1.9e-06 3.2e-06 1.86e-05 ] [ -1e-06 3.3e-06 4.5e-06 ] [ 7.4e-06 -2.34e-05 6.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.117593915456e-14 -2.980048514688e-14 -4.502116304448e-14 ] [ 5.207074017599999e-14 3.316505605055999e-14 -7.850665441919999e-15 ] [ -2.88391791744e-15 9.13240673856e-15 -3.36457090368e-15 ] [ -2.130894905664e-14 1.474002491136e-14 9.6130597248e-15 ] [ 3.04413557952e-15 5.126965186560001e-15 2.980048514688e-14 ] [ -1.6021766208e-15 5.28718284864e-15 7.2097947936e-15 ] [ 1.185610699392e-14 -3.749093292672001e-14 9.77327738688e-15 ] ] } "relaxed-potential-energy" { "source-value" -29.696935 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.757973496641725e-18 } }