{ "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" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.3371625 -2.4227925 -2.26495 ] [ -5.532583 -3.7224623 21.1250422 ] [ -6.4135085 4.6866842 -5.949497 ] [ -3.8548244 -19.6749456 -3.2830188 ] [ 6.4991515 2.0454932 -13.0115152 ] [ -2.6105958 14.3233366 -0.9086754 ] [ 16.2495228 4.7646864 4.2926142 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.94890035811048e-09 -3.881741500549584e-09 -3.62884993728096e-09 ] [ -8.864175135235527e-09 -5.964042068869396e-09 3.384604872625339e-08 ] [ -1.027557337600208e-08 7.508895854312753e-09 -9.532144998919737e-09 ] [ -6.176109530969388e-09 -3.152273785583183e-08 -5.259975967006871e-09 ] [ 1.041278858833725e-08 3.277241383045379e-09 -2.084674545462383e-08 ] [ -4.182635557118673e-09 2.294851503236896e-08 -1.455858481776088e-09 ] [ 2.603460552931656e-08 7.633869155523718e-09 6.877526113354096e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.0851865 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.54519030190778e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.908818 2.3447669 1.6314809 ] [ 2.6444697 2.5105024 4.9936728 ] [ 1.4541479 3.9370863 3.4181362 ] [ 2.8478215 0.679537 3.2737752 ] [ 3.8793352 3.7030754 0.8415941 ] [ 3.5296815 5.1052593 2.9064078 ] [ 4.7365582 3.8961786 4.75935 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.908818e-10 2.3447669e-10 1.6314809e-10 ] [ 2.6444697e-10 2.5105024e-10 4.9936728e-10 ] [ 1.4541479e-10 3.9370863e-10 3.4181362e-10 ] [ 2.8478215e-10 6.79537e-11 3.2737752e-10 ] [ 3.8793352e-10 3.7030754e-10 8.415941e-11 ] [ 3.5296815e-10 5.105259300000001e-10 2.906407800000001e-10 ] [ 4.7365582e-10 3.8961786e-10 4.759350000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-06 1.49e-05 9.6e-06 ] [ 3.25e-05 -7.3e-06 -9.7e-06 ] [ -1.23e-05 1.88e-05 -3.74e-05 ] [ 2.3e-06 -2.1e-06 -2.7e-06 ] [ -2.77e-05 -4.1e-06 5.9e-06 ] [ 3.4e-06 -2.98e-05 -3.1e-06 ] [ 8e-07 9.5e-06 3.74e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.6021766208e-15 2.387243164992e-14 1.538089555968e-14 ] [ 5.207074017599999e-14 -1.169588933184e-14 -1.554111322176e-14 ] [ -1.970677243584e-14 3.012092047104e-14 -5.992140561792e-14 ] [ 3.68500622784e-15 -3.36457090368e-15 -4.32587687616e-15 ] [ -4.438029239616e-14 -6.568924145279999e-15 9.45284206272e-15 ] [ 5.44740051072e-15 -4.774486329984001e-14 -4.96674752448e-15 ] [ 1.28174129664e-15 1.52206778976e-14 5.992140561792e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.894908 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.347733309136689e-18 } }