{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6695484 -5.0000099 -3.7692398 ] [ -1.9222996 1.5170967 -10.4216064 ] [ -1.3728114 -3.0828749 10.4152564 ] [ 2.7202342 1.3828927 -1.1551388 ] [ -3.9788137 1.6342723 -0.2757451 ] [ -2.4832135 -2.1130821 1.8023609 ] [ 7.7064524 5.6617052 3.4041129 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.072734792974047e-09 -8.010898965548547e-09 -6.038987885748867e-09 ] [ -3.079863477293192e-09 2.430656864232831e-09 -1.669725412525965e-08 ] [ -2.199486329847717e-09 -4.939310089631139e-09 1.668708030371757e-08 ] [ 4.358295638340591e-09 2.215638353014988e-09 -1.850736379138967e-09 ] [ -6.374762288658745e-09 2.618392871081044e-09 -4.417923525201581e-10 ] [ -3.978546614154941e-09 -3.385530738450968e-09 2.887700496224047e-09 ] [ 1.234709786458805e-08 9.071051705301788e-09 5.453990102943688e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.9377186 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.111545054260931e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1319317 1.846432 2.2525859 ] [ 1.2479061 3.8592834 2.4054335 ] [ 2.807421 3.7464949 5.6001863 ] [ 4.3313986 1.8550727 2.1531821 ] [ 3.4668245 1.6478477 5.6205423 ] [ 5.5767935 3.6040512 1.6650705 ] [ 1.9734976 5.1120041 4.0728492 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1319317e-10 1.846432e-10 2.2525859e-10 ] [ 1.2479061e-10 3.8592834e-10 2.4054335e-10 ] [ 2.807421e-10 3.7464949e-10 5.6001863e-10 ] [ 4.3313986e-10 1.8550727e-10 2.1531821e-10 ] [ 3.4668245e-10 1.6478477e-10 5.620542300000001e-10 ] [ 5.5767935e-10 3.6040512e-10 1.6650705e-10 ] [ 1.9734976e-10 5.1120041e-10 4.072849200000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.1482732 -0.1027207 -0.266202 ] [ -0.2343207 0.3431012 0.2525796 ] [ -0.2619597 0.8768648 -0.5816807 ] [ 0.2322712 0.0620611 -0.1699618 ] [ 0.0983173 -0.138857 0.2058606 ] [ 0.2593153 -0.2102677 0.0405938 ] [ 0.0546498 -0.8301817 0.5188106 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.375598545312026e-10 -1.645767040122106e-10 -4.265026208102016e-10 ] [ -3.754231473094905e-10 5.49708721208425e-10 4.046771300110157e-10 ] [ -4.197057069317818e-10 1.404892282162468e-09 -9.319552183105787e-10 ] [ 3.72139486325161e-10 9.943284348113088e-11 -2.723088223890854e-10 ] [ 1.575216794801798e-10 -2.224734390344256e-10 3.298250404638605e-10 ] [ 4.154689110757383e-10 -3.368859930493882e-10 6.503843730943104e-11 ] [ 8.755863189139584e-11 -1.330097710755999e-09 8.312262139432205e-10 ] ] } "relaxed-potential-energy" { "source-value" -15.172116 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.430840954326562e-18 } }