{ "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" [ [ 2.301375 1.527111 2.019819 ] [ 1.794175 5.106546 1.47688 ] [ 0.9503771 3.237781 1.232452 ] [ 3.392468 3.669062 0.7528338 ] [ 3.101246 3.595776 2.776891 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.301375e-10 1.527111e-10 2.019819e-10 ] [ 1.794175e-10 5.106546e-10 1.47688e-10 ] [ 9.503771e-11 3.237781e-10 1.232452e-10 ] [ 3.392468e-10 3.669062e-10 7.528338e-11 ] [ 3.101246e-10 3.595776e-10 2.776891e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0499075 -5.6168316 3.6690544 ] [ 0.6457625 13.8866257 0.267056 ] [ -20.1808342 -10.0892056 -7.1677548 ] [ 11.6161205 3.8193671 -18.1250357 ] [ 7.9688587 -1.9999556 21.3566801 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.996062970257601e-11 -8.999156272490656e-09 5.878473180123371e-09 ] [ 1.03462558008936e-09 2.224882703834043e-08 4.278708796443648e-10 ] [ -3.233326074348107e-08 -1.616468933476444e-08 -1.148400916418698e-08 ] [ 1.861107668949561e-08 6.119300673872696e-09 -2.903950844970537e-08 ] [ 1.276751910359868e-08 -3.204282104958037e-09 3.421717355412461e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.330043 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.130963799258695e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.1093374 1.5413205 2.1251088 ] [ 1.3099549 5.1061889 1.7256169 ] [ 0.0222473 2.8876807 1.4105517 ] [ 4.8377944 3.8766024 0.5992084 ] [ 3.2603071 3.7244835 2.39839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1093374e-10 1.5413205e-10 2.1251088e-10 ] [ 1.3099549e-10 5.106188900000001e-10 1.7256169e-10 ] [ 2.22473e-12 2.8876807e-10 1.4105517e-10 ] [ 4.8377944e-10 3.8766024e-10 5.992084e-11 ] [ 3.2603071e-10 3.7244835e-10 2.39839e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.28e-05 -1.81e-05 -7.3e-06 ] [ -3.4e-06 2.09e-05 -1.18e-05 ] [ -9.7e-06 5.8e-06 5.7e-06 ] [ -8.6e-06 -5.8e-06 5.1e-06 ] [ -1.2e-06 -2.8e-06 8.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.652962695424e-14 -2.899939683648e-14 -1.169588933184e-14 ] [ -5.44740051072e-15 3.348549137472e-14 -1.890568412544e-14 ] [ -1.554111322176e-14 9.292624400640001e-15 9.13240673856e-15 ] [ -1.377871893888e-14 -9.292624400640001e-15 8.17110076608e-15 ] [ -1.92261194496e-15 -4.48609453824e-15 1.329806595264e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.90107 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.227196935810426e-18 } }