{ "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" [ [ -6.1051314 7.8252619 6.4043995 ] [ 4.5001859 -4.02168 -5.621284 ] [ -0.1117138 -8.9197245 -5.5130558 ] [ 2.3909818 -1.9765971 4.0445201 ] [ -0.724169 -3.9305727 5.1147363 ] [ -1.3233246 3.3314547 -6.3251891 ] [ 1.3731711 7.6918577 1.895873 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.781498876579706e-09 1.253745177111044e-08 1.026097923370128e-08 ] [ 7.21009269763626e-09 -6.443441725425119e-09 -9.006289877878055e-09 ] [ -1.789852400553492e-10 -1.429097417561733e-08 -8.832889184698178e-09 ] [ 3.830775172279261e-09 -3.166857688452161e-09 6.480035599963342e-09 ] [ -1.160246650867146e-09 -6.29747173817829e-09 8.194710988931612e-09 ] [ -2.120199753317396e-09 5.337578877569479e-09 -1.013407018165149e-08 ] [ 2.200062650904077e-09 1.232371467899298e-08 3.037523421631481e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.008694 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.763787229765599e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6672975 4.1098463 3.6009653 ] [ 5.6739321 2.4395171 1.7660243 ] [ 3.4451838 1.2897707 1.7208488 ] [ 5.5703872 2.2434154 4.3856903 ] [ 3.132717 1.7369756 4.1367488 ] [ 2.9695211 3.6761826 1.1605188 ] [ 5.1010673 4.5163303 3.1506132 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6672975e-10 4.1098463e-10 3.6009653e-10 ] [ 5.673932100000001e-10 2.4395171e-10 1.7660243e-10 ] [ 3.4451838e-10 1.2897707e-10 1.7208488e-10 ] [ 5.570387200000001e-10 2.2434154e-10 4.3856903e-10 ] [ 3.132717e-10 1.7369756e-10 4.136748800000001e-10 ] [ 2.9695211e-10 3.6761826e-10 1.1605188e-10 ] [ 5.1010673e-10 4.5163303e-10 3.1506132e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.74e-05 3e-06 -3.73e-05 ] [ 1.51e-05 -2.12e-05 2.1e-06 ] [ 1.05e-05 3.7e-05 -3e-07 ] [ 1.74e-05 -9.1e-06 8.4e-06 ] [ -1.22e-05 5.5e-06 -1.78e-05 ] [ -5.66e-05 -2.88e-05 1.56e-05 ] [ -1.6e-06 1.35e-05 2.94e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.389963977159999e-14 4.806529901999999e-15 -5.97611884482e-14 ] [ 2.41928671734e-14 -3.39661446408e-14 3.364570931399999e-15 ] [ 1.6822854657e-14 5.9280535458e-14 -4.806529901999999e-16 ] [ 2.78778734316e-14 -1.45798073694e-14 1.34582837256e-14 ] [ -1.95465549348e-14 8.811971486999999e-15 -2.851874408519999e-14 ] [ -9.06831974844e-14 -4.614268705919999e-14 2.49939554904e-14 ] [ -2.5634826144e-15 2.162938455899999e-14 4.710399303959999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.346236 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.939391064104962e-18 } }