{ "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" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.3916751 12.6641602 6.578231 ] [ 6.4005456 -9.1304602 -13.1729074 ] [ -1.2418487 -17.7876198 -9.5044223 ] [ 7.3640733 -4.0969541 7.4778385 ] [ -1.9002103 -6.8869891 11.3078123 ] [ -0.060425 7.3903108 -8.6468372 ] [ 2.8295403 17.8475522 5.9602851 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.145582893533961e-08 2.029022156167276e-08 1.053948800125445e-08 ] [ 1.025480460517151e-08 -1.462860999010696e-08 -2.110532443812569e-08 ] [ -1.989660970103275e-09 -2.849890881803575e-08 -1.522776332872854e-08 ] [ 1.179854617232327e-08 -6.564044129590498e-09 1.198081811752561e-08 ] [ -3.04447254234613e-09 -1.103417301463269e-08 1.811711264871779e-08 ] [ -9.681152310944999e-11 1.184058328175785e-08 -1.385376051984198e-08 ] [ 4.53342335362135e-09 2.859493110893529e-08 9.549429519198354e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.441761 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.993389876001247e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8391728 3.9746246 3.2328073 ] [ 5.8953407 2.341344 1.96179 ] [ 3.471714 1.7144788 1.725761 ] [ 5.6545475 2.144386 4.5783196 ] [ 3.1880366 1.6428365 4.2952014 ] [ 2.2095659 3.7319609 0.7514169 ] [ 5.3017286 4.4624072 3.3761135 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8391728e-10 3.9746246e-10 3.2328073e-10 ] [ 5.895340700000001e-10 2.341344e-10 1.96179e-10 ] [ 3.471714e-10 1.7144788e-10 1.725761e-10 ] [ 5.6545475e-10 2.144386e-10 4.578319600000001e-10 ] [ 3.1880366e-10 1.6428365e-10 4.2952014e-10 ] [ 2.2095659e-10 3.7319609e-10 7.514169e-11 ] [ 5.3017286e-10 4.462407200000001e-10 3.376113500000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.3e-06 -8.6e-06 -4.45e-05 ] [ 7.7e-05 2.96e-05 3.44e-05 ] [ -2.57e-05 8.27e-05 1.3e-06 ] [ -1.14e-05 -2.7e-06 -8e-06 ] [ -3.22e-05 -5.8e-06 -7e-06 ] [ -4.39e-05 -5.26e-05 4.29e-05 ] [ 4.56e-05 -4.25e-05 -1.91e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.49002426962e-14 -1.37787190524e-14 -7.129686021299999e-14 ] [ 1.23367600818e-13 4.74244283664e-14 5.51148762096e-14 ] [ -4.11759394938e-14 1.325000076318e-13 2.0828296242e-15 ] [ -1.82648136276e-14 -4.3258769118e-15 -1.2817413072e-14 ] [ -5.159008761479998e-14 -9.2926244772e-15 -1.1215236438e-14 ] [ -7.03355542326e-14 -8.42744909484e-14 6.873337759859999e-14 ] [ 7.30592545104e-14 -6.8092506945e-14 -3.06015737094e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.637167 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.787091666135588e-18 } }