{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.661101 -6.686335 -5.0893173 ] [ 0.1985111 -0.6694769 -0.5294629 ] [ -3.6789542 -0.5648122 -3.4784769 ] [ -6.0061037 -5.9008095 10.8354994 ] [ 2.2036888 13.2049162 -2.5631105 ] [ 1.2854041 1.8700856 -3.8064938 ] [ 8.6585549 -1.2535684 4.6313619 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.2635538077875e-09 -1.071268961583677e-08 -8.15398519389298e-09 ] [ 3.180498433892909e-10 -1.07262023734566e-09 -8.482930799609682e-10 ] [ -5.894334408233968e-09 -9.049289019826137e-10 -5.573134365172859e-09 ] [ -9.622838930240376e-09 -9.454139024694539e-09 1.736038381337243e-08 ] [ 3.530698674878807e-09 2.115660801526318e-08 -4.106555719626999e-09 ] [ 2.059444397300465e-09 2.99620742721474e-09 -6.098675373580152e-09 ] [ 1.387253423069328e-08 -2.008437983053663e-09 7.420259758643868e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.921542 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.749823925548528e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.559025 0.6902242 2.6849224 ] [ 2.8132258 2.3873292 0.8126587 ] [ 0.9809658 2.8025372 2.4980874 ] [ 2.2748121 2.3065906 4.7570291 ] [ 2.5614403 4.4865822 3.5170242 ] [ 4.4189361 3.5373101 2.2447009 ] [ 4.5605478 1.7175595 3.8633308 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.559025e-10 6.902242e-11 2.6849224e-10 ] [ 2.8132258e-10 2.3873292e-10 8.126587e-11 ] [ 9.809658e-11 2.8025372e-10 2.4980874e-10 ] [ 2.2748121e-10 2.3065906e-10 4.7570291e-10 ] [ 2.5614403e-10 4.4865822e-10 3.5170242e-10 ] [ 4.4189361e-10 3.5373101e-10 2.2447009e-10 ] [ 4.5605478e-10 1.7175595e-10 3.8633308e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.3e-06 1.35e-05 1.2e-05 ] [ -4.6e-06 -4.7e-06 4.45e-05 ] [ 1.27e-05 -9.1e-06 -1.94e-05 ] [ 1.79e-05 -2.25e-05 2.4e-06 ] [ 2.76e-05 -1.72e-05 -3.18e-05 ] [ -6.4e-06 3.59e-05 1.58e-05 ] [ -3.88e-05 4.1e-06 -2.35e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.329806595264e-14 2.16293843808e-14 1.92261194496e-14 ] [ -7.370012455680001e-15 -7.53023011776e-15 7.129685962560001e-14 ] [ 2.034764308416e-14 -1.457980724928e-14 -3.108222644352e-14 ] [ 2.867896151232001e-14 -3.604897396800001e-14 3.84522388992e-15 ] [ 4.422007473408001e-14 -2.755743787776e-14 -5.094921654144e-14 ] [ -1.025393037312e-14 5.751814068672e-14 2.531439060864e-14 ] [ -6.216445288704e-14 6.568924145279999e-15 -3.76511505888e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.815392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.854340455278736e-18 } }