{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4199615 -5.335436 -11.497629 ] [ -1.6393679 0.0539454 4.4084521 ] [ -8.6193767 -9.9770135 1.3052466 ] [ -8.7721687 5.6572861 -1.4348582 ] [ 9.8960684 -7.6948976 6.6024322 ] [ 4.6372077 7.3825172 -6.6509181 ] [ 5.9175987 9.9135984 7.2672744 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.275029117736099e-09 -8.548310820974668e-09 -1.842123237843208e-08 ] [ -2.626556922269992e-09 8.643005867970431e-11 7.063118888536664e-09 ] [ -1.380976383460825e-08 -1.598493777510598e-08 2.091235586898689e-09 ] [ -1.405456360485353e-08 9.063971526596812e-09 -2.298896262203171e-09 ] [ 1.585524942831766e-08 -1.232858503417003e-08 1.057826251125711e-08 ] [ 7.429625762733741e-09 1.182809646049388e-08 -1.065594548667556e-08 ] [ 9.481038288416475e-09 1.588333558448029e-08 1.164345714061835e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.38185979 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.118068279615977e-20 } "relaxed-configuration-positions" { "source-value" [ [ 2.9725306 1.5958733 1.4620584 ] [ 1.4283673 2.9796885 4.6221914 ] [ 1.7225201 0.8492986 3.5845023 ] [ 0.8503512 4.329553 2.7346655 ] [ 4.3656482 1.2012412 3.7037357 ] [ 3.0477217 3.9471225 1.8719413 ] [ 3.7902858 3.4799339 4.1668934 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9725306e-10 1.5958733e-10 1.4620584e-10 ] [ 1.4283673e-10 2.9796885e-10 4.6221914e-10 ] [ 1.7225201e-10 8.492986000000001e-11 3.5845023e-10 ] [ 8.503512e-11 4.329553e-10 2.7346655e-10 ] [ 4.3656482e-10 1.2012412e-10 3.7037357e-10 ] [ 3.0477217e-10 3.9471225e-10 1.8719413e-10 ] [ 3.7902858e-10 3.4799339e-10 4.1668934e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.9e-06 -1.63e-05 2.9e-06 ] [ 6.8e-06 -7.5e-06 -4e-06 ] [ 8.5e-06 -1.62e-05 3.2e-06 ] [ 1e-06 1e-07 8.1e-06 ] [ -2.7e-05 6.1e-06 4.5e-06 ] [ 1.17e-05 2.95e-05 -1.15e-05 ] [ 1.1e-06 4.3e-06 -3.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.04413557952e-15 -2.611547891904e-14 4.646312200320001e-15 ] [ 1.089480102144e-14 -1.2016324656e-14 -6.4087064832e-15 ] [ 1.36185012768e-14 -2.595526125696e-14 5.126965186560001e-15 ] [ 1.6021766208e-15 1.6021766208e-16 1.297763062848e-14 ] [ -4.32587687616e-14 9.77327738688e-15 7.2097947936e-15 ] [ 1.874546646336e-14 4.72642103136e-14 -1.84250311392e-14 ] [ 1.76239428288e-15 6.889359469440001e-15 -5.28718284864e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.819793 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.89373960072955e-18 } }