{ "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" [ [ 1.232696 1.429874 2.018017 ] [ 2.664166 0.3933008 4.008788 ] [ 2.480457 2.487888 4.841749 ] [ 1.659099 3.474448 2.765735 ] [ 4.127261 1.03872 2.31822 ] [ 4.538799 1.714568 4.545045 ] [ 3.952007 3.51716 3.378238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.232696e-10 1.429874e-10 2.018017e-10 ] [ 2.664166e-10 3.933008e-11 4.008788e-10 ] [ 2.480457e-10 2.487888e-10 4.841749e-10 ] [ 1.659099e-10 3.474448e-10 2.765735e-10 ] [ 4.127261e-10 1.03872e-10 2.31822e-10 ] [ 4.538799e-10 1.714568e-10 4.545045e-10 ] [ 3.952007e-10 3.51716e-10 3.378238e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0993363 -2.3941481 -1.008986 ] [ -6.7193116 -8.0935248 -0.4328084 ] [ -9.4901587 3.4841046 9.7081388 ] [ -2.7088771 2.8339512 -1.5506472 ] [ 2.2456271 -2.6307179 -8.0184327 ] [ 11.9786341 -2.2823838 6.5257519 ] [ 4.5947499 9.0827187 -5.2230163 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.591542974567751e-10 -3.83584811255274e-09 -1.616573779914509e-09 ] [ -1.076552395339024e-08 -1.2967256214425e-08 -6.934354997658547e-10 ] [ -1.520491039682172e-08 5.582150934541736e-09 1.555415301684137e-08 ] [ -4.340099558240504e-09 4.540490357128105e-09 -2.484410690948982e-09 ] [ 3.597891238654904e-09 -4.214874715300073e-09 -1.284694540739822e-08 ] [ 1.919188750413765e-08 -3.656781964052663e-09 1.045540712732118e-08 ] [ 7.361600868203138e-09 1.455211955444297e-08 -8.36819460591732e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.160317 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.627862235731679e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8926436 1.1890625 2.0567345 ] [ 1.4637486 0.1747121 4.1850842 ] [ 2.3682511 2.1385955 5.2184109 ] [ 1.8410489 3.3667486 3.1696757 ] [ 4.2863975 1.3080033 2.0569016 ] [ 4.6549485 2.0438048 4.506907 ] [ 4.1474468 3.835032 2.6820781 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8926436e-10 1.1890625e-10 2.0567345e-10 ] [ 1.4637486e-10 1.747121e-11 4.1850842e-10 ] [ 2.3682511e-10 2.1385955e-10 5.2184109e-10 ] [ 1.8410489e-10 3.3667486e-10 3.1696757e-10 ] [ 4.2863975e-10 1.3080033e-10 2.0569016e-10 ] [ 4.6549485e-10 2.0438048e-10 4.506907e-10 ] [ 4.1474468e-10 3.835032e-10 2.6820781e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.4e-06 -7.5e-06 -4.1e-06 ] [ -2.14e-05 -6.3e-06 1.7e-06 ] [ 1.48e-05 8e-07 7e-07 ] [ 4.4e-06 -1e-07 -5.6e-06 ] [ -2.9e-06 -1e-07 -9.2e-06 ] [ 7.7e-06 5.7e-06 1.22e-05 ] [ -6.1e-06 7.5e-06 4.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.44740051072e-15 -1.2016324656e-14 -6.568924145279999e-15 ] [ -3.428657968511999e-14 -1.009371271104e-14 2.72370025536e-15 ] [ 2.371221398784e-14 1.28174129664e-15 1.12152363456e-15 ] [ 7.04957713152e-15 -1.6021766208e-16 -8.972189076479999e-15 ] [ -4.646312200320001e-15 -1.6021766208e-16 -1.474002491136e-14 ] [ 1.233675998016e-14 9.13240673856e-15 1.954655477376e-14 ] [ -9.77327738688e-15 1.2016324656e-14 7.04957713152e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }