{ "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" [ [ 0.8884438 2.916456 2.400624 ] [ 2.811423 1.824332 1.936915 ] [ 1.907829 2.277214 4.357236 ] [ 1.702277 4.831739 3.243262 ] [ 3.61245 3.93555 1.732923 ] [ 3.530316 5.918227 2.544774 ] [ 3.982422 3.894872 3.827608 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.884438000000001e-11 2.916456e-10 2.400624e-10 ] [ 2.811423e-10 1.824332e-10 1.936915e-10 ] [ 1.907829e-10 2.277214e-10 4.357236e-10 ] [ 1.702277e-10 4.831739e-10 3.243262e-10 ] [ 3.61245e-10 3.93555e-10 1.732923e-10 ] [ 3.530316e-10 5.918227e-10 2.544774e-10 ] [ 3.982422e-10 3.894872e-10 3.827608e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.247775 -1.1089539 -2.4238854 ] [ 1.3306994 -3.0343764 -0.8279613 ] [ 1.8749201 -1.2399751 2.6691005 ] [ -4.0228343 2.0434552 2.0716287 ] [ 2.0885759 -3.8977702 -10.1849892 ] [ 2.764779 9.0787587 0.3420282 ] [ 2.2116349 -1.8411383 8.3540785 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.001003903701872e-08 -1.776740012124981e-09 -3.883492519378457e-09 ] [ 2.132015467992588e-09 -4.86160692678727e-09 -1.326540237787175e-09 ] [ 3.003953150087998e-09 -1.986659115594142e-09 4.27637041966559e-09 ] [ -6.445291064812335e-09 3.273976147092188e-09 3.319115070118297e-09 ] [ 3.346267477746319e-09 -6.244916287690941e-09 -1.63181515793405e-08 ] [ 4.429664275478803e-09 1.45457749350246e-08 5.479895856943066e-10 ] [ 3.543429730525346e-09 -2.949828739919457e-09 1.338470926102793e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.423117 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.830185099406303e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6204214 3.0159186 2.7489725 ] [ 2.6220766 1.9353964 1.6332969 ] [ 2.4036522 1.9041582 4.1483542 ] [ 1.3845114 5.1948887 3.3856247 ] [ 4.3436962 3.5974715 1.7361928 ] [ 3.489622 5.8872558 2.2390738 ] [ 3.571181 4.0633008 4.151827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.204214000000001e-11 3.0159186e-10 2.7489725e-10 ] [ 2.6220766e-10 1.9353964e-10 1.6332969e-10 ] [ 2.4036522e-10 1.9041582e-10 4.1483542e-10 ] [ 1.3845114e-10 5.1948887e-10 3.3856247e-10 ] [ 4.3436962e-10 3.5974715e-10 1.7361928e-10 ] [ 3.489622e-10 5.887255800000001e-10 2.2390738e-10 ] [ 3.571181e-10 4.0633008e-10 4.151827e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.54e-05 -2.1e-05 6e-07 ] [ -4.64e-05 -2.42e-05 4.3e-06 ] [ 1.41e-05 -5e-06 -2.95e-05 ] [ 8.7e-06 2.65e-05 -5.7e-06 ] [ 2.14e-05 1.7e-05 1.7e-06 ] [ -1.8e-06 -3.36e-05 2.57e-05 ] [ -1.14e-05 4.04e-05 2.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.467351996032e-14 -3.36457090368e-14 9.6130597248e-16 ] [ -7.434099520512001e-14 -3.877267422336e-14 6.889359469440001e-15 ] [ 2.259069035328e-14 -8.010883104e-15 -4.72642103136e-14 ] [ 1.393893660096e-14 4.24576804512e-14 -9.13240673856e-15 ] [ 3.428657968511999e-14 2.72370025536e-14 2.72370025536e-15 ] [ -2.88391791744e-15 -5.383313445888e-14 4.117593915456e-14 ] [ -1.826481347712e-14 6.472793548032e-14 4.48609453824e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.453482 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.796356081195363e-18 } }