{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7315436 0.3767612 1.166558 ] [ 0.6069044 0.5624824 2.9402 ] [ 2.192795 0.1872249 0.2922769 ] [ 2.54678 0.883358 1.224646 ] [ 2.591807 0.3326772 2.854818 ] [ 2.523994 2.504234 0.7585561 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.315436e-11 3.767612e-11 1.166558e-10 ] [ 6.069044000000001e-11 5.624824e-11 2.9402e-10 ] [ 2.192795e-10 1.872249e-11 2.922769e-11 ] [ 2.54678e-10 8.83358e-11 1.224646e-10 ] [ 2.591807e-10 3.326772e-11 2.854818e-10 ] [ 2.523994e-10 2.504234e-10 7.585561e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -49.7367378 -7.8921545 -10.0566225 ] [ -16.8659796 0.8399087 23.3230885 ] [ 7.5162764 -32.2605399 -49.1734539 ] [ 38.3001641 15.5702132 8.5646101 ] [ 16.6565644 -10.0014803 35.0967252 ] [ 4.1297125 33.7440529 -7.7543474 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.968703849801962e-08 -1.264462542764151e-08 -1.611248545371125e-08 ] [ -2.702227820200974e-08 1.345682082746521e-09 3.736770711954934e-08 ] [ 1.204240232355079e-08 -5.168708280216557e-08 -7.878455820256658e-08 ] [ 6.136362749382348e-08 2.494623156991155e-08 1.372201806848755e-08 ] [ 2.668675806452958e-08 -1.602413791005177e-08 5.623115258208221e-08 ] [ 6.61652881812552e-09 5.406393264741844e-08 -1.242383411384127e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 40.552966 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.497301402929729e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.008541 0.4575866 0.6945287 ] [ 0.4382803 0.8293784 3.0386769 ] [ 2.1315281 0.1956748 -0.4200622 ] [ 3.8733203 0.4051868 1.2353122 ] [ 2.8268428 0.7969966 3.3729046 ] [ 1.9153115 2.1619145 1.3156948 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.541000000000001e-13 4.575866e-11 6.945287e-11 ] [ 4.382803000000001e-11 8.293784e-11 3.0386769e-10 ] [ 2.1315281e-10 1.956748e-11 -4.200622e-11 ] [ 3.8733203e-10 4.051868e-11 1.2353122e-10 ] [ 2.8268428e-10 7.969966e-11 3.3729046e-10 ] [ 1.9153115e-10 2.1619145e-10 1.3156948e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.8e-06 2.07e-05 -2.19e-05 ] [ -4.46e-05 -1.5e-06 4.03e-05 ] [ 1.45e-05 -3.43e-05 -1.7e-06 ] [ 2.3e-06 3.11e-05 -2.86e-05 ] [ 1.44e-05 -4.6e-06 3.5e-06 ] [ 1.62e-05 -1.14e-05 8.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.48609453824e-15 3.316505605055999e-14 -3.508766799552e-14 ] [ -7.145707728768e-14 -2.4032649312e-15 6.456771781824e-14 ] [ 2.32315610016e-14 -5.495465809344e-14 -2.72370025536e-15 ] [ 3.68500622784e-15 4.982769290688e-14 -4.582225135488e-14 ] [ 2.307134333952e-14 -7.370012455680001e-15 5.6076181728e-15 ] [ 2.595526125696e-14 -1.826481347712e-14 1.329806595264e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.712533 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.517425302614849e-18 } }