{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.94836 -5.1134857 -11.9009979 ] [ -0.7828678 -0.0420781 1.2617149 ] [ -8.8845549 -7.6409707 3.9285277 ] [ -6.3911134 4.3802414 -1.5356876 ] [ 11.4837771 -7.6829897 6.4542286 ] [ 4.2488 8.1696291 -5.7287023 ] [ 3.2743191 7.9296538 7.5209165 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.723793461701889e-09 -8.192707239335123e-09 -1.90675005995699e-08 ] [ -1.25429248633713e-09 -6.741654806768448e-11 2.02149011489501e-09 ] [ -1.423462614699408e-08 -1.224218461575781e-08 6.294195235105197e-09 ] [ -1.02396924703616e-08 7.017920364540262e-09 -2.460442769572462e-09 ] [ 1.839903918809842e-08 -1.230950647518721e-08 1.034081416821872e-08 ] [ 6.807328026455041e-09 1.308918874462734e-08 -9.178392892583188e-09 ] [ 5.246037511058898e-09 1.270470592939788e-08 1.204983658328896e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.776632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.886824446216514e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2129696 1.6823717 1.4896183 ] [ 1.3434591 3.0407291 4.6495524 ] [ 1.9200116 0.8295819 3.8216291 ] [ 1.1388245 3.7733813 2.3412226 ] [ 4.2382556 1.5577844 3.2327411 ] [ 3.6211774 3.8831871 2.0633239 ] [ 3.7027274 3.6156754 4.5479006 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2129696e-10 1.6823717e-10 1.4896183e-10 ] [ 1.3434591e-10 3.0407291e-10 4.6495524e-10 ] [ 1.9200116e-10 8.295819e-11 3.8216291e-10 ] [ 1.1388245e-10 3.7733813e-10 2.3412226e-10 ] [ 4.2382556e-10 1.5577844e-10 3.2327411e-10 ] [ 3.6211774e-10 3.8831871e-10 2.0633239e-10 ] [ 3.7027274e-10 3.6156754e-10 4.5479006e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.1e-06 -3.4e-06 -1.38e-05 ] [ 8.9e-06 -1.5e-06 -1.09e-05 ] [ -2.67e-05 -1.32e-05 2.16e-05 ] [ 1.5e-06 1.24e-05 1.11e-05 ] [ 2.13e-05 1.88e-05 -9.1e-06 ] [ -3.1e-06 -9.8e-06 -4.3e-06 ] [ -9e-06 -3.2e-06 5.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.137545400768e-14 -5.44740051072e-15 -2.211003736704e-14 ] [ 1.425937192512e-14 -2.4032649312e-15 -1.746372516672e-14 ] [ -4.277811577536e-14 -2.114873139456e-14 3.460701500928e-14 ] [ 2.4032649312e-15 1.986699009792e-14 1.778416049088e-14 ] [ 3.412636202304e-14 3.012092047104e-14 -1.457980724928e-14 ] [ -4.96674752448e-15 -1.570133088384e-14 -6.889359469440001e-15 ] [ -1.44195895872e-14 -5.126965186560001e-15 8.65175375232e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }