{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0587563 2.624587 0.4359975 ] [ 0.6130103 1.606213 2.369845 ] [ 2.872214 1.39186 0.7464612 ] [ 1.941337 0.0175427 2.118778 ] [ 2.055015 2.698548 0.547582 ] [ 2.796139 2.772611 2.055467 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.87563e-12 2.624587e-10 4.359975e-11 ] [ 6.130103e-11 1.606213e-10 2.369845e-10 ] [ 2.872214e-10 1.39186e-10 7.464612e-11 ] [ 1.941337e-10 1.75427e-12 2.118778e-10 ] [ 2.055015e-10 2.698548e-10 5.47582e-11 ] [ 2.796139e-10 2.772611e-10 2.055467e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -27.7190897 -2.6612939 0.4667806 ] [ -0.5309862 12.8918379 -4.2742537 ] [ 823.4617861 -1365.9944355 146.511506 ] [ 6.2481271 -8.1920977 0.249394 ] [ -1019.92299 1290.1670255 -655.9536859 ] [ 218.4631527 73.7889637 513.000259 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.441087746719809e-08 -4.263862867657654e-09 7.478649643629965e-10 ] [ -8.507336756074329e-10 2.065500128252337e-08 -6.848109349507897e-09 ] [ 1.319331221811631e-06 -2.188564348700994e-06 2.347373095913989e-07 ] [ 1.00106031634069e-08 -1.312518741024945e-08 3.995732361677952e-10 ] [ -1.634096769594432e-06 2.067075445183177e-06 -1.050953659876567e-06 ] [ 3.500165557622004e-07 1.182229525131999e-07 8.219170214341448e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 215.6341 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.454839136672493e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.2252389 2.1077526 0.0373278 ] [ 0.8431784 1.9044818 2.1479109 ] [ 2.2098549 1.2556467 0.4987889 ] [ 2.2042487 0.1886025 2.4324673 ] [ 1.826936 3.4093293 0.8526069 ] [ 3.0270147 2.2455488 2.305029 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.252389e-11 2.1077526e-10 3.73278e-12 ] [ 8.431784e-11 1.9044818e-10 2.1479109e-10 ] [ 2.2098549e-10 1.2556467e-10 4.987889e-11 ] [ 2.2042487e-10 1.886025e-11 2.4324673e-10 ] [ 1.826936e-10 3.4093293e-10 8.526069e-11 ] [ 3.0270147e-10 2.2455488e-10 2.305029e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.34e-05 -3.37e-05 5.84e-05 ] [ -0.0001086 1.04e-05 1.95e-05 ] [ -1.32e-05 5.16e-05 -4.66e-05 ] [ -2e-05 -1.83e-05 -1.09e-05 ] [ 2.3e-06 -3.28e-05 -2.32e-05 ] [ 6.61e-05 2.28e-05 2.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.1759976396672e-13 -5.399335212096e-14 9.356711465472001e-14 ] [ -1.7399638101888e-13 1.666263685632e-14 3.12424441056e-14 ] [ -2.114873139456e-14 8.267231363328e-14 -7.466143052928e-14 ] [ -3.2043532416e-14 -2.931983216064e-14 -1.746372516672e-14 ] [ 3.68500622784e-15 -5.255139316223999e-14 -3.717049760256e-14 ] [ 1.0590387463488e-13 3.652962695424e-14 4.32587687616e-15 ] ] } "relaxed-potential-energy" { "source-value" -39.006818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.249581185140063e-18 } }