{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8403174 0.0019487 1.613535 ] [ 0.0637823 2.769237 1.974876 ] [ 2.710551 0.627508 0.2521163 ] [ 2.357874 0.9595638 1.99039 ] [ 1.619464 1.82467 0.5389468 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.403174e-11 1.9487e-13 1.613535e-10 ] [ 6.37823e-12 2.769237e-10 1.974876e-10 ] [ 2.710551e-10 6.27508e-11 2.521163e-11 ] [ 2.357874e-10 9.595638e-11 1.99039e-10 ] [ 1.619464e-10 1.82467e-10 5.389467999999999e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -113.6639405 -69.3822723 -31.4071752 ] [ 4.3630228 -4.6736186 -2.2180275 ] [ 500.0256154 -547.347945 -294.6737367 ] [ 131.0716521 47.6305771 304.081565 ] [ -521.7963498 573.7732589 24.2173744 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.821097080971022e-07 -1.111626545770394e-07 -5.031984183080956e-08 ] [ 6.990333126177355e-09 -7.487962455456026e-09 -3.553671804791472e-09 ] [ 8.011293507950125e-07 -8.769480809219243e-07 -4.72119371704515e-07 ] [ 2.099999366442512e-07 7.631259706483186e-08 4.871923742592756e-07 ] [ -8.360099124683388e-07 9.192861010498054e-07 3.880051108084042e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 103.89098 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.664516992680004e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.6968285 0.2508029 1.3030178 ] [ 0.3355378 2.2493332 2.1879851 ] [ 2.7012591 0.223839 0.3599614 ] [ 2.3754451 1.3857888 2.2177923 ] [ 1.4829183 2.0731636 0.3011076 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.968285e-11 2.508029e-11 1.3030178e-10 ] [ 3.355378e-11 2.2493332e-10 2.1879851e-10 ] [ 2.7012591e-10 2.23839e-11 3.599614e-11 ] [ 2.3754451e-10 1.3857888e-10 2.2177923e-10 ] [ 1.4829183e-10 2.0731636e-10 3.011076e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.44e-05 3.56e-05 -1.77e-05 ] [ 0.0001163 -9.87e-05 -0.0001207 ] [ -0.0001351 7.03e-05 7.58e-05 ] [ -4.7e-05 3.66e-05 -7.71e-05 ] [ 1.14e-05 -4.38e-05 0.0001397 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.715840817152e-14 5.703748770048e-14 -2.835852618816e-14 ] [ 1.8633314099904e-13 -1.5813483247296e-13 -1.9338271813056e-13 ] [ -2.1645406147008e-13 1.1263301644224e-13 1.2144498785664e-13 ] [ -7.530230117759999e-14 5.863966432128e-14 -1.2352781746368e-13 ] [ 1.826481347712e-14 -7.017533599104001e-14 2.2382407392576e-13 ] ] } "relaxed-potential-energy" { "source-value" -28.867458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.625076630952593e-18 } }