{ "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" [ [ -5.1164033 5.1020997 3.4475299 ] [ -2.6918955 1.2014172 -7.8130236 ] [ -1.0671181 -6.5745701 -3.647698 ] [ 3.5921434 -2.5810382 4.6042743 ] [ 1.8681745 1.5736838 1.9200239 ] [ 8.128788 -0.4370917 2.5637947 ] [ -4.7136889 1.7154992 -1.0749011 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.197381817380492e-09 8.17446492367841e-09 5.523551850796356e-09 ] [ -4.312892071269747e-09 1.924882565525705e-09 -1.251784385281056e-08 ] [ -1.709711685538475e-09 -1.053362259281504e-08 -5.844256503488532e-09 ] [ 5.755248221457315e-09 -4.135279095501419e-09 7.376860699986706e-09 ] [ 2.993145532134633e-09 2.521319413664329e-09 3.076217429301552e-09 ] [ 1.302375419633959e-08 -7.002981086553378e-10 4.107651962713039e-09 ] [ -7.552162215525162e-09 2.748532733885692e-09 -1.722181426280897e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.887302 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.186297057770146e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1629973 3.6107691 3.0663701 ] [ 5.6812226 2.7091039 1.5410707 ] [ 3.5116353 1.5709087 2.2962672 ] [ 5.5806046 1.7920093 3.7940556 ] [ 3.4062285 2.3492794 4.736749 ] [ 3.5690214 3.8331527 1.0913325 ] [ 4.6483964 4.146815 3.3955645 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1629973e-10 3.6107691e-10 3.0663701e-10 ] [ 5.6812226e-10 2.7091039e-10 1.5410707e-10 ] [ 3.5116353e-10 1.5709087e-10 2.2962672e-10 ] [ 5.5806046e-10 1.7920093e-10 3.7940556e-10 ] [ 3.4062285e-10 2.3492794e-10 4.736749e-10 ] [ 3.5690214e-10 3.8331527e-10 1.0913325e-10 ] [ 4.6483964e-10 4.146815e-10 3.3955645e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.25e-05 -2.47e-05 1.38e-05 ] [ -2.34e-05 -8.5e-06 -3.33e-05 ] [ -2.89e-05 2.64e-05 -5e-07 ] [ 2.74e-05 8e-07 2.94e-05 ] [ -2.97e-05 -1.01e-05 -3.37e-05 ] [ 2.79e-05 -1.74e-05 3.68e-05 ] [ -3.58e-05 3.34e-05 -1.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.00136039625e-13 -3.95737628598e-14 2.21100375492e-14 ] [ -3.749093323559999e-14 -1.3618501389e-14 -5.33524819122e-14 ] [ -4.63029047226e-14 4.22974631376e-14 -8.010883169999999e-16 ] [ 4.389963977159999e-14 1.2817413072e-15 4.710399303959999e-14 ] [ -4.75846460298e-14 -1.61819840034e-14 -5.399335256579999e-14 ] [ 4.470072808859999e-14 -2.78778734316e-14 5.896010013119999e-14 ] [ -5.735792349719999e-14 5.351269957559999e-14 -2.0027207925e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937497194045e-18 } }