{ "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" [ [ 1.971858 1.613185 3.540739 ] [ 1.980532 3.696797 1.101352 ] [ 1.421419 3.841396 3.166588 ] [ 2.933735 5.314328 3.389927 ] [ 3.610376 2.128489 1.767833 ] [ 4.452161 4.502678 1.60274 ] [ 4.038762 3.260824 3.402783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.971858e-10 1.613185e-10 3.540739e-10 ] [ 1.980532e-10 3.696797e-10 1.101352e-10 ] [ 1.421419e-10 3.841396e-10 3.166588e-10 ] [ 2.933735e-10 5.314328e-10 3.389927e-10 ] [ 3.610376e-10 2.128489e-10 1.767833e-10 ] [ 4.452161e-10 4.502678000000001e-10 1.60274e-10 ] [ 4.038762e-10 3.260824e-10 3.402783e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7166252 0.3023223 -0.2496633 ] [ 0.3206913 0.0245165 -2.5747455 ] [ -3.2674875 -0.8449482 1.7019736 ] [ 1.7489324 1.859456 0.2557564 ] [ -0.5618911 -2.2787443 -2.5261669 ] [ -0.4468258 0.6706278 -0.7917131 ] [ 1.4899555 0.2667699 4.1845588 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.148160141316124e-09 4.843737210064839e-10 -4.000047023317767e-10 ] [ 5.138041033539591e-10 3.92797631238432e-11 -4.125197044610006e-09 ] [ -5.23509208125624e-09 -1.353756251827043e-09 2.726862311138811e-09 ] [ 2.802098602639634e-09 2.979176930606285e-09 4.097669246999731e-10 ] [ -9.002487838555948e-10 -3.650950842241262e-09 -4.047365547418812e-09 ] [ -7.158938503302566e-10 1.074464182418538e-09 -1.268464219201092e-09 ] [ 2.387171868132375e-09 4.274124969131539e-10 6.704402277722902e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.787402 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.330508949157117e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4758647 1.9515477 3.5403993 ] [ 1.9933493 3.8383038 0.8697353 ] [ 1.1449359 3.8319642 3.032172 ] [ 2.9526486 5.2216743 3.4758692 ] [ 3.3161855 1.9703733 1.3748982 ] [ 4.250696 4.1905205 1.6986387 ] [ 4.275163 3.3533133 3.9802493 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4758647e-10 1.9515477e-10 3.5403993e-10 ] [ 1.9933493e-10 3.8383038e-10 8.697353000000001e-11 ] [ 1.1449359e-10 3.8319642e-10 3.032172e-10 ] [ 2.9526486e-10 5.2216743e-10 3.4758692e-10 ] [ 3.3161855e-10 1.9703733e-10 1.3748982e-10 ] [ 4.250696e-10 4.1905205e-10 1.6986387e-10 ] [ 4.275163e-10 3.3533133e-10 3.9802493e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.72e-05 -5.02e-05 4.19e-05 ] [ 1.5e-06 2.56e-05 -4.89e-05 ] [ -4.51e-05 -1.73e-05 1.23e-05 ] [ -7.8e-06 3.87e-05 -1.05e-05 ] [ -3.73e-05 2e-06 -8.9e-06 ] [ 4.92e-05 3.4e-06 1.24e-05 ] [ 2.23e-05 -2.1e-06 1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.755743787776e-14 -8.042926636416e-14 6.713120041152e-14 ] [ 2.4032649312e-15 4.101572149248001e-14 -7.834643675712001e-14 ] [ -7.225816559807999e-14 -2.771765553984e-14 1.970677243584e-14 ] [ -1.249697764224e-14 6.200423522496e-14 -1.68228545184e-14 ] [ -5.976118795584e-14 3.2043532416e-15 -1.425937192512e-14 ] [ 7.882708974336e-14 5.44740051072e-15 1.986699009792e-14 ] [ 3.572853864384e-14 -3.36457090368e-15 2.4032649312e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }