{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.409611e-10 -2.301087e-11 6.553332e-11 ] [ -2.592902e-11 9.41927e-12 2.5478942e-10 ] [ 3.041418e-11 2.4573707e-10 2.6342597e-10 ] [ 2.1587193e-10 -5.00338e-11 3.0718622e-10 ] [ 1.9741815e-10 2.1334224e-10 7.420947e-11 ] [ 2.7213248e-10 1.8628569e-10 3.1592651e-10 ] ] "source-value" [ [ 1.409611 -0.2301087 0.6553332 ] [ -0.2592902 0.0941927 2.5478942 ] [ 0.3041418 2.4573707 2.6342597 ] [ 2.1587193 -0.500338 3.0718622 ] [ 1.9741815 2.1334224 0.7420947 ] [ 2.7213248 1.8628569 3.1592651 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 3.56484298128e-12 1.47095835555648e-12 -2.48785985677824e-12 ] [ -5.551541991072001e-13 -1.5765417948672e-13 -1.5268743196224e-13 ] [ -2.0043229526208e-12 3.76735810614912e-12 1.22822859750528e-12 ] [ -1.4171252210976e-12 -2.174954762736e-12 -6.6426242698368e-13 ] [ -3.17455275645312e-12 -5.5699670222112e-12 1.15148433736896e-12 ] [ 3.58631214799872e-12 2.66409928506624e-12 9.250967808499202e-13 ] ] "source-value" [ [ 0.002225 0.0009181 -0.0015528 ] [ -0.0003465 -9.84e-05 -9.53e-05 ] [ -0.001251 0.0023514 0.0007666 ] [ -0.0008845 -0.0013575 -0.0004146 ] [ -0.0019814 -0.0034765 0.0007187 ] [ 0.0022384 0.0016628 0.0005774 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.296083801363018e-18 "source-value" -14.331028 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 3.559277820787651e-18 "source-value" 22.215265 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.009597e-10 3.628337e-11 1.078601e-10 ] [ 3.523669e-12 1.167127e-11 2.680629e-10 ] [ 3.335965e-11 1.756245e-10 2.167544e-10 ] [ 2.066416e-10 7.297679e-13 2.832654e-10 ] [ 2.311694e-10 1.962933e-10 1.086024e-10 ] [ 2.552148e-10 1.611374e-10 2.965257e-10 ] ] "source-value" [ [ 1.009597 0.3628337 1.078601 ] [ 0.03523669 0.1167127 2.680629 ] [ 0.3335965 1.756245 2.167544 ] [ 2.066416 0.007297679 2.832654 ] [ 2.311694 1.962933 1.086024 ] [ 2.552148 1.611374 2.965257 ] ] } "instance-id" 1 }