{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.563951 0.9225225 1.195567 ] [ 1.348432 0.3073599 2.755625 ] [ 0.2422324 2.903648 2.041824 ] [ 2.040932 0.0344744 0.838059 ] [ 2.055265 2.344707 1.01543 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.63951e-11 9.225225000000001e-11 1.195567e-10 ] [ 1.348432e-10 3.073599e-11 2.755625000000001e-10 ] [ 2.422324e-11 2.903648e-10 2.041824e-10 ] [ 2.040932e-10 3.447440000000001e-12 8.38059e-11 ] [ 2.055265e-10 2.344707e-10 1.01543e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -36.2941435 8.1038572 -12.8982723 ] [ 5.5251282 -7.3934807 26.374083 ] [ -5.3743264 6.571446 4.1468185 ] [ 24.1934606 -16.5770177 -13.5702759 ] [ 11.9498811 9.2951951 -4.0523532 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.814962818766028e-08 1.298381054414175e-08 -2.066531032777225e-08 ] [ 8.852231228962788e-09 -1.184566192387602e-08 4.225593917763873e-08 ] [ -8.61062011062823e-09 1.052861714604968e-08 6.643935651400925e-09 ] [ 3.876219694956594e-08 -2.655931020152779e-08 -2.174197878478568e-08 ] [ 1.914582011975979e-08 1.489254427499472e-08 -6.492585556264067e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 7.4823369 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.198802525012915e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.6068267 1.0700278 2.2026117 ] [ 1.0369913 -0.5703183 2.1613327 ] [ 0.3156496 3.0316993 1.3686707 ] [ 2.9754062 0.377567 1.3018919 ] [ 2.529592 2.603736 0.811998 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.068267000000001e-11 1.0700278e-10 2.2026117e-10 ] [ 1.0369913e-10 -5.703183e-11 2.1613327e-10 ] [ 3.156496e-11 3.0316993e-10 1.3686707e-10 ] [ 2.9754062e-10 3.77567e-11 1.3018919e-10 ] [ 2.529592e-10 2.603736e-10 8.11998e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-07 -3.6e-06 -3.4e-06 ] [ 1.8e-06 2.1e-06 3e-06 ] [ 4.8e-06 2.3e-06 8e-07 ] [ -2.4e-06 -4e-06 -5e-07 ] [ -4.5e-06 3.2e-06 1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.2043532416e-16 -5.76783583488e-15 -5.44740051072e-15 ] [ 2.88391791744e-15 3.36457090368e-15 4.8065298624e-15 ] [ 7.69044777984e-15 3.68500622784e-15 1.28174129664e-15 ] [ -3.84522388992e-15 -6.4087064832e-15 -8.010883104e-16 ] [ -7.2097947936e-15 5.126965186560001e-15 1.6021766208e-16 ] ] } "relaxed-potential-energy" { "source-value" -12.437183 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992656383121121e-18 } }