{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0760308 -1.0822599 -0.5166758 ] [ -2.790603 -5.333831 5.6092214 ] [ 1.096166 7.4528911 -4.8232916 ] [ 1.5548527 -1.7532874 0.0054932 ] [ -0.1707382 -0.3992056 0.9662001 ] [ -3.6216216 -0.2421558 4.1981592 ] [ 4.007975 1.3578487 -5.4391065 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.218147702207207e-10 -1.733971509409346e-09 -8.278058872931367e-10 ] [ -4.471038884534342e-09 -8.545739327498285e-09 8.986963387971045e-09 ] [ 1.756251537715853e-09 1.19408478777884e-08 -7.727765036821026e-09 ] [ 2.491148644727756e-09 -2.809076081823218e-09 8.801076613378561e-12 ] [ -2.735527523174746e-10 -6.395978792124365e-10 1.548023211234622e-09 ] [ -5.80247745690429e-09 -3.879763613511206e-10 6.726192520636432e-09 ] [ 6.421483841750881e-09 2.175513441723673e-09 -8.714409272341316e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.148202 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.90766249539558e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9969556 1.1883752 1.6827504 ] [ 2.0995953 2.161167 3.7869204 ] [ 2.6658872 3.5999429 1.9011464 ] [ 4.91919 2.768415 2.1288121 ] [ 4.4580001 2.4854233 4.502411 ] [ 3.3080575 0.3688934 4.9157579 ] [ 4.8559983 0.4431479 3.0667119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9969556e-10 1.1883752e-10 1.6827504e-10 ] [ 2.0995953e-10 2.161167e-10 3.7869204e-10 ] [ 2.6658872e-10 3.5999429e-10 1.9011464e-10 ] [ 4.919190000000001e-10 2.768415e-10 2.1288121e-10 ] [ 4.4580001e-10 2.4854233e-10 4.502411000000001e-10 ] [ 3.3080575e-10 3.688934e-11 4.9157579e-10 ] [ 4.8559983e-10 4.431479e-11 3.0667119e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.18e-05 1.74e-05 1.89e-05 ] [ 3.31e-05 2.91e-05 3.5e-06 ] [ 3.8e-05 -6.41e-05 -1.3e-05 ] [ -4.43e-05 -2e-06 3.07e-05 ] [ -1.4e-05 4.8e-06 1.55e-05 ] [ -1.32e-05 2e-06 -2.66e-05 ] [ 3.21e-05 1.28e-05 -2.9e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.094921654144e-14 2.787787320192e-14 3.028113813312e-14 ] [ 5.303204614848e-14 4.662333966527999e-14 5.6076181728e-15 ] [ 6.08827115904e-14 -1.0269952139328e-13 -2.08282960704e-14 ] [ -7.097642430144e-14 -3.2043532416e-15 4.918682225856e-14 ] [ -2.24304726912e-14 7.69044777984e-15 2.48337376224e-14 ] [ -2.114873139456e-14 3.2043532416e-15 -4.261789811328e-14 ] [ 5.142986952768e-14 2.050786074624e-14 -4.64631220032e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.501501 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.444920221430782e-18 } }