{ "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" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6661999 -1.1610374 -1.028515 ] [ -1.2476355 -0.6317076 -0.381266 ] [ -1.4282447 0.8683792 0.6521574 ] [ -1.2216682 -1.1325988 0.4147554 ] [ 1.4237145 1.2053684 -0.8227854 ] [ 0.8521328 0.6277523 -0.0867987 ] [ 0.9555012 0.2238438 1.2524523 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.067369904559298e-09 -1.860186978154418e-09 -1.647862687142112e-09 ] [ -1.998932429380118e-09 -1.012107147901678e-09 -6.108554715059327e-10 ] [ -2.28830026712151e-09 1.391296852229007e-09 1.044871339361714e-09 ] [ -1.957328228414819e-09 -1.814623318106135e-09 6.645114052305523e-10 ] [ 2.281042086593962e-09 1.931213069931103e-09 -1.318247531815576e-09 ] [ 1.365267249976842e-09 1.005770058713428e-09 -1.39066847855833e-10 ] [ 1.530881683786345e-09 3.58637303071031e-10 2.006649793727188e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.586929 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.298389633786953e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9005563 1.9121739 0.969795 ] [ 1.9118684 0.884276 3.697553 ] [ 1.9765984 3.0751831 2.8098848 ] [ 3.8269598 0.1963149 2.39571 ] [ 5.0780928 2.1934882 1.8650518 ] [ 4.0893982 1.1655956 4.5928154 ] [ 4.1831171 3.360243 3.7170531 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9005563e-10 1.9121739e-10 9.69795e-11 ] [ 1.9118684e-10 8.84276e-11 3.697553e-10 ] [ 1.9765984e-10 3.0751831e-10 2.8098848e-10 ] [ 3.8269598e-10 1.963149e-11 2.39571e-10 ] [ 5.0780928e-10 2.1934882e-10 1.8650518e-10 ] [ 4.0893982e-10 1.1655956e-10 4.5928154e-10 ] [ 4.1831171e-10 3.360243e-10 3.7170531e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.16e-05 3.9e-06 -2.42e-05 ] [ -3.4e-06 7.5e-06 -1.54e-05 ] [ 5.8e-06 5.6e-06 -1.1e-05 ] [ -6.1e-06 -3.7e-05 1.18e-05 ] [ 2.9e-06 5e-06 -2e-07 ] [ 3.21e-05 -2.8e-06 8.2e-06 ] [ -9.7e-06 1.78e-05 3.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.460701500928e-14 6.24848882112e-15 -3.877267422336e-14 ] [ -5.44740051072e-15 1.2016324656e-14 -2.467351996032e-14 ] [ 9.292624400640001e-15 8.972189076479999e-15 -1.76239428288e-14 ] [ -9.77327738688e-15 -5.92805349696e-14 1.890568412544e-14 ] [ 4.646312200320001e-15 8.010883104e-15 -3.2043532416e-16 ] [ 5.142986952768e-14 -4.48609453824e-15 1.313784829056e-14 ] [ -1.554111322176e-14 2.851874385024e-14 4.934703992064001e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.535655 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.450392295461462e-18 } }