{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.6613705 5.6324093 -1.7177349 ] [ 6.1543248 -5.6452016 6.0316434 ] [ 4.0386662 -4.8627896 -5.7709955 ] [ -4.3173478 6.8428094 1.5674161 ] [ -2.5808543 5.8970586 -1.9514025 ] [ -6.6457808 -3.1614624 5.6657037 ] [ -4.3103787 -4.7028237 -3.8246302 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.227486869838681e-08 9.024114499236494e-09 -2.752114697512226e-09 ] [ 9.860315311369637e-09 -9.044610023222754e-09 9.663758040482623e-09 ] [ 6.470656564855177e-09 -7.791047808989384e-09 -9.246154068842006e-09 ] [ -6.917153709022316e-09 1.096338924127048e-08 2.511277430485515e-09 ] [ -4.13498442115115e-09 9.44812942040758e-09 -3.126491463270672e-09 ] [ -1.064771462472152e-08 -5.065221144818258e-09 9.077458008520057e-09 ] [ -6.905987979934298e-09 -7.534754183884153e-09 -6.127733089645628e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.560558 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.537211802940241e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6855591 1.7772556 2.9509059 ] [ 1.9541018 3.2616694 1.3357725 ] [ 2.4542386 3.7915361 3.4179387 ] [ 3.2929241 1.5075885 1.4582868 ] [ 3.7956605 2.0340501 3.5406906 ] [ 4.0647236 3.5213462 1.9224215 ] [ 4.5690303 4.051996 4.0089361 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6855591e-10 1.7772556e-10 2.9509059e-10 ] [ 1.9541018e-10 3.2616694e-10 1.3357725e-10 ] [ 2.4542386e-10 3.7915361e-10 3.4179387e-10 ] [ 3.2929241e-10 1.5075885e-10 1.4582868e-10 ] [ 3.7956605e-10 2.0340501e-10 3.5406906e-10 ] [ 4.0647236e-10 3.5213462e-10 1.9224215e-10 ] [ 4.5690303e-10 4.051996e-10 4.0089361e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.18e-05 1.32e-05 1.8e-05 ] [ 5e-07 -1.9e-06 -1.36e-05 ] [ -1.49e-05 2.51e-05 5.21e-05 ] [ 1.33e-05 2.2e-05 -1.69e-05 ] [ -1.75e-05 -4e-07 1.99e-05 ] [ 1.52e-05 -3.17e-05 -5.2e-05 ] [ -3.84e-05 -2.64e-05 -7.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.697098274944e-14 2.114873139456e-14 2.88391791744e-14 ] [ 8.010883104e-16 -3.04413557952e-15 -2.178960204288e-14 ] [ -2.387243164992e-14 4.021463318208e-14 8.347340194367999e-14 ] [ 2.130894905664e-14 3.52478856576e-14 -2.707678489152e-14 ] [ -2.8038090864e-14 -6.408706483200001e-16 3.188331475392e-14 ] [ 2.435308463616e-14 -5.078899887936e-14 -8.33131842816e-14 ] [ -6.152358223872e-14 -4.229746278912e-14 -1.217654231808e-14 ] ] } "relaxed-potential-energy" { "source-value" -50.517683 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.093825063958561e-18 } }