{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6618616 0.5532969 2.6678 ] [ 1.355444 2.726321 1.335983 ] [ 0.8455628 2.30582 2.977156 ] [ 2.930365 0.9373095 0.4139469 ] [ 2.829062 1.427351 2.413715 ] [ 2.781652 2.87748 1.992398 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.618616000000001e-11 5.532969e-11 2.6678e-10 ] [ 1.355444e-10 2.726321e-10 1.335983e-10 ] [ 8.455628e-11 2.30582e-10 2.977156e-10 ] [ 2.930365e-10 9.373095e-11 4.139469e-11 ] [ 2.829062e-10 1.427351e-10 2.413715e-10 ] [ 2.781652e-10 2.87748e-10 1.992398e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3404219 -9.0465836 -0.6603608 ] [ -13.1950985 3.0688826 -16.2111697 ] [ -5.9196306 5.9407541 11.2777071 ] [ 0.6296028 -1.8947643 -4.8361815 ] [ 5.1831498 -19.7430872 10.0149075 ] [ 15.6423984 21.6747984 0.4150975 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.749769250988315e-09 -1.44942247420327e-08 -1.058014635052784e-09 ] [ -2.114087832585315e-08 4.916891953699917e-09 -2.597315708916135e-08 ] [ -9.484293751092275e-09 9.518137328941746e-09 1.806887865185017e-08 ] [ 1.008734886550218e-09 -3.035747063386478e-09 -7.748416933245476e-09 ] [ 8.304321431664195e-09 -3.163191273425574e-08 1.604565065597458e-08 ] [ 2.506188500971933e-08 3.472685525703325e-08 6.65059509852528e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -1.7438038 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.793881679622199e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.7968323 0.4565152 2.0530986 ] [ 0.8170501 2.6217314 0.8708042 ] [ 1.0940861 2.5516985 3.3212605 ] [ 2.7072297 1.0574931 0.6124066 ] [ 2.9842661 0.9874624 3.0628625 ] [ 3.004483 3.1526779 1.8805665 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.968323e-11 4.565152e-11 2.0530986e-10 ] [ 8.170501000000001e-11 2.6217314e-10 8.708042000000001e-11 ] [ 1.0940861e-10 2.5516985e-10 3.321260500000001e-10 ] [ 2.7072297e-10 1.0574931e-10 6.124066e-11 ] [ 2.9842661e-10 9.874624e-11 3.0628625e-10 ] [ 3.004483e-10 3.1526779e-10 1.8805665e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 -1.9e-06 1.7e-06 ] [ -2.3e-06 4e-07 -1.5e-06 ] [ -2.7e-06 4.8e-06 2.5e-06 ] [ 2.7e-06 -1.3e-06 -5.1e-06 ] [ 1.2e-06 -3e-06 5e-07 ] [ 1.2e-06 1e-06 1.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 -3.04413557952e-15 2.72370025536e-15 ] [ -3.68500622784e-15 6.408706483200001e-16 -2.4032649312e-15 ] [ -4.32587687616e-15 7.69044777984e-15 4.005441552e-15 ] [ 4.32587687616e-15 -2.08282960704e-15 -8.17110076608e-15 ] [ 1.92261194496e-15 -4.8065298624e-15 8.010883104e-16 ] [ 1.92261194496e-15 1.6021766208e-15 3.04413557952e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.568499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.295436822274818e-18 } }