{ "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" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9035588 -0.1411465 -0.0643866 ] [ 0.9794061 -0.4211161 -0.1002283 ] [ 0.9930829 1.3698487 0.340401 ] [ -0.3322396 -0.3753755 0.2248065 ] [ 0.2060425 -0.2840015 -0.3297006 ] [ -0.3304043 0.9244046 0.1775832 ] [ -0.6123287 -1.0726137 -0.2484752 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.447660784878103e-09 -2.261416224077472e-10 -1.031587052128013e-10 ] [ 1.569181555688907e-09 -6.747023700624748e-10 -1.605834390025286e-10 ] [ 1.591094204896264e-09 2.194739561173273e-09 5.453825238969408e-10 ] [ -5.323065196239437e-10 -6.014178501211103e-10 3.601797185038752e-10 ] [ 3.30116476391184e-10 -4.550205635721312e-10 -5.282385931837325e-10 ] [ -5.293660448717894e-10 1.481059438279976e-09 2.845196512868505e-10 ] [ -9.81058727384857e-10 -1.718516593289785e-09 -3.981011562886042e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -6.386097085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.023165544866321e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.6255701 2.1172751 1.2966172 ] [ 2.4388662 3.4751401 2.8067879 ] [ 5.8838473 2.6656125 1.1034221 ] [ 3.0322551 1.2390635 3.3964709 ] [ 5.3263926 1.6958326 3.1495332 ] [ 4.0311115 3.0805978 4.5414204 ] [ 4.6925412 4.0843824 2.519641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.6255701e-10 2.1172751e-10 1.2966172e-10 ] [ 2.4388662e-10 3.4751401e-10 2.8067879e-10 ] [ 5.883847300000001e-10 2.6656125e-10 1.1034221e-10 ] [ 3.0322551e-10 1.2390635e-10 3.3964709e-10 ] [ 5.3263926e-10 1.6958326e-10 3.1495332e-10 ] [ 4.0311115e-10 3.0805978e-10 4.5414204e-10 ] [ 4.692541200000001e-10 4.0843824e-10 2.519641e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.82e-05 2.89e-05 8.1e-06 ] [ 7.3e-06 -1.17e-05 -8.9e-06 ] [ -1.26e-05 -1.16e-05 -1.08e-05 ] [ 8.9e-06 1.48e-05 1.32e-05 ] [ -2.48e-05 7.6e-06 -4.2e-06 ] [ -1.1e-06 -1.7e-05 1.64e-05 ] [ -1.59e-05 -1.09e-05 -1.36e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.120314691456e-14 4.630290434112001e-14 1.297763062848e-14 ] [ 1.169588933184e-14 -1.874546646336e-14 -1.425937192512e-14 ] [ -2.018742542208e-14 -1.858524880128e-14 -1.730350750464e-14 ] [ 1.425937192512e-14 2.371221398784e-14 2.114873139456e-14 ] [ -3.973398019584e-14 1.217654231808e-14 -6.72914180736e-15 ] [ -1.76239428288e-15 -2.72370025536e-14 2.627569658112e-14 ] [ -2.547460827072e-14 -1.746372516672e-14 -2.178960204288e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.660528085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.547787224328598e-18 } }