{ "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" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.386327 -0.0532739 0.1049988 ] [ -0.6817898 0.5047263 0.0532721 ] [ -0.0024189 0.7024025 0.1253741 ] [ 1.2729044 -0.2665397 4.104511 ] [ -0.157638 -0.2573036 0.6520904 ] [ 1.1676317 0.53757 -4.655923 ] [ -0.2123624 -1.1675817 -0.3843234 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.221140708183802e-09 -8.535419707883713e-11 1.682266225720551e-10 ] [ -1.092347677859908e-09 8.08660677762887e-10 8.535131316091969e-11 ] [ -3.87550502805312e-12 1.125372863891472e-09 2.008714518738412e-10 ] [ 2.039417670193452e-09 -4.270436758550457e-10 6.576151564016428e-09 ] [ -2.525639181496704e-10 -4.122458123676749e-10 1.04476399352812e-09 ] [ 1.870752211444959e-09 8.61282086043456e-10 -7.459610978844998e-09 ] [ -3.40242072416978e-10 -1.870672102613919e-09 -6.157539663063667e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -6.991086158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.12009547978344e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0247905 2.8261166 1.4186196 ] [ 2.4056413 2.7516799 3.8158117 ] [ 3.5834489 1.2156908 2.2775505 ] [ 4.873896 2.7223251 3.6757535 ] [ 3.0222164 4.9420964 0.8865242 ] [ 4.5981384 3.225823 1.2813809 ] [ 3.6596355 4.7348492 3.1900185 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0247905e-10 2.8261166e-10 1.4186196e-10 ] [ 2.4056413e-10 2.7516799e-10 3.8158117e-10 ] [ 3.5834489e-10 1.2156908e-10 2.2775505e-10 ] [ 4.873896000000001e-10 2.7223251e-10 3.6757535e-10 ] [ 3.0222164e-10 4.942096399999999e-10 8.865242e-11 ] [ 4.5981384e-10 3.225823e-10 1.2813809e-10 ] [ 3.6596355e-10 4.7348492e-10 3.1900185e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.02e-05 1.31e-05 2.43e-05 ] [ -1.2e-06 -7.6e-06 -8.8e-06 ] [ 1.21e-05 3.88e-05 5.9e-06 ] [ -5e-06 -3.36e-05 -1.17e-05 ] [ -9.7e-06 -2.7e-06 -1.47e-05 ] [ -7.2e-06 -6.3e-06 2.14e-05 ] [ -9.2e-06 -1.7e-06 -1.64e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.236396774016e-14 2.098851373248e-14 3.893289188544e-14 ] [ -1.92261194496e-15 -1.217654231808e-14 -1.409915426304e-14 ] [ 1.938633711168e-14 6.216445288704e-14 9.45284206272e-15 ] [ -8.010883104e-15 -5.383313445888e-14 -1.874546646336e-14 ] [ -1.554111322176e-14 -4.32587687616e-15 -2.355199632576e-14 ] [ -1.153567166976e-14 -1.009371271104e-14 3.428657968511999e-14 ] [ -1.474002491136e-14 -2.72370025536e-15 -2.627569658112e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.103202158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.298276105265201e-18 } }