{ "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" [ [ 1.009597 0.3628337 1.078601 ] [ 0.0352367 0.1167127 2.680629 ] [ 0.3335965 1.756245 2.167544 ] [ 2.066416 0.0072977 2.832654 ] [ 2.311694 1.962933 1.086024 ] [ 2.552148 1.611374 2.965257 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.009597e-10 3.628337e-11 1.078601e-10 ] [ 3.52367e-12 1.167127e-11 2.680629e-10 ] [ 3.335965e-11 1.756245e-10 2.167544e-10 ] [ 2.066416e-10 7.2977e-13 2.832654e-10 ] [ 2.311694e-10 1.962933e-10 1.086024e-10 ] [ 2.552148e-10 1.611374e-10 2.965257e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.2974654 -18.7674479 -37.1118333 ] [ -26.414248 -30.8598361 22.3013679 ] [ -11.5174357 41.1188772 2.9564465 ] [ 3.135961 -38.5723446 7.3385112 ] [ 8.1213434 10.867307 -15.8623838 ] [ 23.3769138 36.2134444 20.3778914 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.28312197177692e-09 -3.006876625746206e-08 -5.945971166828691e-08 ] [ -4.232029060161316e-08 -4.944290792113985e-08 3.573073026123959e-08 ] [ -1.845296621010729e-08 6.587970372338617e-08 4.736749462945988e-09 ] [ 5.024363397940589e-09 -6.179970872756113e-08 1.175759107611895e-08 ] [ 1.301182652496838e-08 1.741134520645618e-08 -2.541434047451666e-08 ] [ 3.745394475681689e-08 5.802033397632068e-08 3.264898118228138e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 22.215265 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.559277820787651e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4102535 -0.2314465 0.654449 ] [ -0.2587805 0.0950966 2.5469409 ] [ 0.3039504 2.4585412 2.635356 ] [ 2.1587796 -0.5001185 3.071347 ] [ 1.9729835 2.1319957 0.7428578 ] [ 2.7215018 1.8633277 3.1597583 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4102535e-10 -2.314465e-11 6.54449e-11 ] [ -2.587805e-11 9.50966e-12 2.5469409e-10 ] [ 3.039504e-11 2.4585412e-10 2.635356e-10 ] [ 2.1587796e-10 -5.001185000000001e-11 3.071347e-10 ] [ 1.9729835e-10 2.1319957e-10 7.428578e-11 ] [ 2.7215018e-10 1.8633277e-10 3.1597583e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.71e-05 -2.24e-05 1.9e-06 ] [ 2.53e-05 1.66e-05 9.2e-06 ] [ -1.52e-05 2.7e-06 4.1e-06 ] [ -2.55e-05 2.22e-05 -3.47e-05 ] [ -3.4e-06 -1.18e-05 2.61e-05 ] [ 1.6e-06 -7.3e-06 -6.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.739722021568e-14 -3.588875630592e-14 3.04413557952e-15 ] [ 4.053506850624e-14 2.659613190528e-14 1.474002491136e-14 ] [ -2.435308463616e-14 4.32587687616e-15 6.568924145279999e-15 ] [ -4.08555038304e-14 3.556832098176e-14 -5.559552874176001e-14 ] [ -5.44740051072e-15 -1.890568412544e-14 4.181680980288e-14 ] [ 2.56348259328e-15 -1.169588933184e-14 -1.057436569728e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.331035 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.296084922886653e-18 } }