{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.0707525 -9.2418742 -12.1607715 ] [ -7.3990145 -5.3414825 6.2601191 ] [ -14.754052 21.6351524 -5.3037424 ] [ 6.7795717 -1.6550808 -3.2569313 ] [ 13.2578594 -14.8720531 7.1716449 ] [ 7.6176186 4.8970239 -1.5901265 ] [ 6.5687694 4.5783144 8.8798076 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.933947745096315e-08 -1.48071147756147e-08 -1.948370378819095e-08 ] [ -1.18545280488602e-08 -8.557998381912335e-09 1.002981646544354e-08 ] [ -2.363859717646748e-08 3.466333536272501e-08 -8.497532076025683e-09 ] [ 1.086207127677731e-08 -2.651731763294961e-09 -5.218179184411751e-09 ] [ 2.124143237253351e-08 -2.382765578011617e-08 1.149024179145956e-08 ] [ 1.220477042709123e-08 7.845897204078837e-09 -2.547663502414531e-09 ] [ 1.052432876010644e-08 7.33526829435198e-09 1.422702013392216e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 12.729199 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.039442503931074e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4504494 2.3426323 1.4639185 ] [ 1.6595403 2.5205355 4.7279496 ] [ 2.0378432 4.6973157 2.9704009 ] [ 4.9179862 2.1663665 1.3831675 ] [ 4.2415504 1.8172721 4.0195135 ] [ 4.6224722 4.5007862 1.8597355 ] [ 3.9035274 4.0430557 5.0584624 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4504494e-10 2.3426323e-10 1.4639185e-10 ] [ 1.6595403e-10 2.5205355e-10 4.727949599999999e-10 ] [ 2.0378432e-10 4.6973157e-10 2.9704009e-10 ] [ 4.9179862e-10 2.1663665e-10 1.3831675e-10 ] [ 4.2415504e-10 1.8172721e-10 4.019513500000001e-10 ] [ 4.6224722e-10 4.500786200000001e-10 1.8597355e-10 ] [ 3.903527400000001e-10 4.0430557e-10 5.0584624e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.1673105 1.3147777 0.8288762 ] [ 0.6984506 1.9452296 -1.0793123 ] [ 0.1943546 -2.1836939 -0.094137 ] [ -0.0783925 1.7578105 -0.5642966 ] [ -0.2246812 1.2996202 2.5510157 ] [ -0.7182947 -1.2843642 -0.1417594 ] [ -0.0387473 -2.8493798 -1.5003865 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.680609715143584e-10 2.106506092489196e-09 1.328006069177545e-09 ] [ 1.119041222103733e-09 3.116601387208136e-09 -1.729248933601876e-09 ] [ 3.113903962649357e-10 -3.498663313563574e-09 -1.508241005522496e-10 ] [ -1.25598630746064e-10 2.816322886896758e-09 -9.041028197169293e-10 ] [ -3.59978965773289e-10 2.08222110035942e-09 4.087177713833747e-09 ] [ -1.15083497518455e-09 -2.057778293832495e-09 -2.271235964586356e-10 ] [ -6.208001817912385e-11 -4.56520969933978e-09 -2.403884172463939e-09 ] ] } "relaxed-potential-energy" { "source-value" -10.516379 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.684909656927209e-18 } }