{ "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" [ [ -2.6407873 -11.1217052 -6.3578565 ] [ -0.2504874 0.0641111 -0.6944577 ] [ -5.500806 0.4388608 -7.2710252 ] [ -2.6048698 -5.3468477 18.4799355 ] [ 0.6946625 15.0217444 -6.2694066 ] [ 2.3338769 4.1470694 -1.8482077 ] [ 7.968411 -3.2032327 3.9610181 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.231007707423948e-09 -1.781893620167629e-08 -1.018640912662502e-08 ] [ -4.013250593914116e-10 1.027173064000374e-10 -1.112643900241382e-09 ] [ -8.813262841367003e-09 7.031325193385472e-10 -1.164946668066518e-08 ] [ -4.173461528172252e-09 -8.56659445049664e-09 2.960812085592711e-08 ] [ 1.112972026016025e-09 2.406748787960034e-08 -1.004469676356538e-08 ] [ 3.739283035812354e-09 6.644337692256399e-09 -2.961155191718881e-09 ] [ 1.276680191430857e-08 -5.132144585204731e-09 6.346250646671074e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.4849405 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.519655004398028e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3075144 0.3767874 2.8528732 ] [ 2.9788129 2.9362979 0.2639563 ] [ 1.2203181 2.4594623 2.018385 ] [ 2.9459059 2.8033772 5.5747187 ] [ 2.1868281 4.1262723 3.5565152 ] [ 4.2632281 3.6134153 2.3354733 ] [ 4.2663454 1.6125207 3.7758318 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3075144e-10 3.767874e-11 2.8528732e-10 ] [ 2.9788129e-10 2.9362979e-10 2.639563e-11 ] [ 1.2203181e-10 2.4594623e-10 2.018385e-10 ] [ 2.9459059e-10 2.8033772e-10 5.5747187e-10 ] [ 2.1868281e-10 4.1262723e-10 3.556515200000001e-10 ] [ 4.2632281e-10 3.613415300000001e-10 2.3354733e-10 ] [ 4.2663454e-10 1.6125207e-10 3.775831800000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.5e-06 -2.03e-05 1.39e-05 ] [ 8.8e-06 -1e-05 1.12e-05 ] [ 1.69e-05 2.1e-05 2.55e-05 ] [ -1.81e-05 -1.12e-05 -1.2e-05 ] [ -6.7e-06 5.9e-06 -2.1e-06 ] [ 3.3e-06 2.8e-05 -2.22e-05 ] [ -6.8e-06 -1.33e-05 -1.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.005441585e-15 -3.252418567019999e-14 2.22702552126e-14 ] [ 1.40991543792e-14 -1.602176634e-14 1.79443783008e-14 ] [ 2.70767851146e-14 3.364570931399999e-14 4.0855504167e-14 ] [ -2.899939707539999e-14 -1.79443783008e-14 -1.9226119608e-14 ] [ -1.07345834478e-14 9.452842140600001e-15 -3.364570931399999e-15 ] [ 5.2871828922e-15 4.486094575199999e-14 -3.55683212748e-14 ] [ -1.08948011112e-14 -2.13089492322e-14 -2.29111258662e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.813779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334735037903988e-18 } }