{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9796515 -9.4658475 -3.0658745 ] [ -8.3316086 -2.3092304 7.3540646 ] [ 0.5370158 5.5413151 -4.499486 ] [ -2.4184269 3.8520884 1.9145968 ] [ 7.0376339 -3.3743192 3.4068536 ] [ 2.0775638 4.8522068 -6.0459926 ] [ 2.0774734 0.9037867 0.9358381 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.569574742763051e-09 -1.516595968550731e-08 -4.912072486676433e-09 ] [ -1.334870862255345e-08 -3.699794989402473e-09 1.178251046704656e-08 ] [ 8.603941668488171e-10 8.878165574851373e-09 -7.208971334210123e-09 ] [ -3.874747070217055e-09 6.171726026582445e-09 3.067522256491171e-09 ] [ 1.127553259322629e-08 -5.406255377897572e-09 5.458381233378782e-09 ] [ 3.328624176004249e-09 7.774092358295911e-09 -9.686748073056908e-09 ] [ 3.328479339236535e-09 1.448025932859968e-09 1.499377937026955e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.742654 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.201815912794663e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8018477 1.6865111 2.0491379 ] [ 1.8019683 1.9566173 4.3570971 ] [ 2.5879529 3.9023465 0.9896385 ] [ 2.3613868 5.3560771 3.0024133 ] [ 4.972578 2.5799721 2.7941636 ] [ 5.0988494 4.1551866 0.818789 ] [ 3.5843699 3.7481023 4.4634615 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8018477e-10 1.6865111e-10 2.0491379e-10 ] [ 1.8019683e-10 1.9566173e-10 4.3570971e-10 ] [ 2.5879529e-10 3.9023465e-10 9.896385e-11 ] [ 2.3613868e-10 5.3560771e-10 3.0024133e-10 ] [ 4.972578e-10 2.5799721e-10 2.7941636e-10 ] [ 5.0988494e-10 4.155186600000001e-10 8.18789e-11 ] [ 3.5843699e-10 3.7481023e-10 4.4634615e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.26e-05 -2.73e-05 3.03e-05 ] [ -4.16e-05 2.01e-05 -1.28e-05 ] [ 6.4e-06 6.96e-05 4.9e-06 ] [ 8e-07 -5.68e-05 1.46e-05 ] [ 1.45e-05 -1.7e-06 -2.51e-05 ] [ -1.56e-05 -2.51e-05 -3.61e-05 ] [ -1.71e-05 2.13e-05 2.42e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.42744909484e-14 -4.37394221082e-14 4.854595201019999e-14 ] [ -6.665054797439999e-14 3.22037503434e-14 -2.05078609152e-14 ] [ 1.02539304576e-14 1.115114937264e-13 7.850665506599998e-15 ] [ 1.2817413072e-15 -9.100363281119999e-14 2.33917788564e-14 ] [ 2.3231561193e-14 -2.7237002778e-15 -4.02146335134e-14 ] [ -2.49939554904e-14 -4.02146335134e-14 -5.783857648740001e-14 ] [ -2.73972204414e-14 3.41263623042e-14 3.877267454279999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.813779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334735037903988e-18 } }