{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9506018 -0.3583241 1.3170968 ] [ -3.2990988 7.6798061 0.7411628 ] [ -8.090203 -5.9179137 -7.1427514 ] [ 1.766598 -6.0558175 -1.7328642 ] [ 1.5216027 -0.880456 1.5332022 ] [ 8.314208 5.6833359 1.9856993 ] [ 0.7374948 -0.1506306 3.2984546 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.523031992198341e-09 -5.740985004190793e-10 2.110221717676171e-09 ] [ -5.285739010617439e-09 1.230440588707067e-08 1.187473720150015e-09 ] [ -1.29619342109167e-08 -9.481543052168483e-09 -1.144394939555079e-08 ] [ 2.830402037271132e-09 -9.702489298268294e-09 -2.776354531135103e-09 ] [ 2.437876292171312e-09 -1.410646030465104e-09 2.456460740037395e-09 ] [ 1.332082978781587e-08 9.10570798215336e-09 3.181441020610156e-09 ] [ 1.181596936256503e-09 -2.413368276854004e-10 5.284706888429815e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.641411 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.704942005699057e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0179879 2.0082244 3.4465834 ] [ 3.1199142 5.3026844 2.5116906 ] [ 2.4683226 3.3191556 1.2835153 ] [ 4.5417386 2.1060029 1.7285002 ] [ 5.4104837 3.1078016 3.7804396 ] [ 5.5603941 4.9711699 2.0181344 ] [ 3.2544619 3.8904522 4.5591094 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0179879e-10 2.0082244e-10 3.4465834e-10 ] [ 3.1199142e-10 5.3026844e-10 2.5116906e-10 ] [ 2.4683226e-10 3.319155600000001e-10 1.2835153e-10 ] [ 4.541738600000001e-10 2.1060029e-10 1.7285002e-10 ] [ 5.410483700000001e-10 3.1078016e-10 3.7804396e-10 ] [ 5.5603941e-10 4.9711699e-10 2.0181344e-10 ] [ 3.2544619e-10 3.8904522e-10 4.5591094e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.3e-05 -2.65e-05 1.79e-05 ] [ 5.09e-05 -6.58e-05 -4.87e-05 ] [ 5e-06 9.98e-05 -3.1e-06 ] [ -2.54e-05 -3.58e-05 5.7e-05 ] [ -5.9e-06 6.3e-05 -8.56e-05 ] [ -3.73e-05 -1.57e-05 6.01e-05 ] [ -2.03e-05 -1.9e-05 2.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.287182892199999e-14 -4.2457680801e-14 2.86789617486e-14 ] [ 8.155079067059998e-14 -1.054232225172e-13 -7.802600207579999e-14 ] [ 8.010883169999999e-15 1.598972280732e-13 -4.9667475654e-15 ] [ -4.06952865036e-14 -5.735792349719999e-14 9.132406813799999e-14 ] [ -9.452842140600001e-15 1.00937127942e-13 -1.371463198704e-13 ] [ -5.97611884482e-14 -2.515417315379999e-14 9.629081570339999e-14 ] [ -3.252418567019999e-14 -3.0441356046e-14 3.845223921599999e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.714404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.998378080803613e-18 } }