{ "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" [ [ 2.026325 2.332401 2.957561 ] [ 3.78119 1.739305 1.09586 ] [ 4.095572 1.356929 3.585425 ] [ 3.432411 4.018052 0.5968462 ] [ 4.864307 3.437474 2.341714 ] [ 3.124173 4.42761 2.898506 ] [ 3.279186 3.336979 4.610213 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.026325e-10 2.332401e-10 2.957561e-10 ] [ 3.78119e-10 1.739305e-10 1.09586e-10 ] [ 4.095572e-10 1.356929e-10 3.585425e-10 ] [ 3.432411e-10 4.018052e-10 5.968462e-11 ] [ 4.864307000000001e-10 3.437474e-10 2.341714e-10 ] [ 3.124173e-10 4.42761e-10 2.898506e-10 ] [ 3.279186e-10 3.336979e-10 4.610213e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 10.1773597 3.1226715 -0.7370186 ] [ -0.9213721 6.9417267 7.9642238 ] [ -3.9844067 9.0835217 -5.2349115 ] [ 1.4977372 -4.2723176 7.6120196 ] [ 3.6507556 -11.6850686 -3.4254395 ] [ -13.4259183 12.4482094 -18.1000189 ] [ 3.0058447 -15.638743 11.9211452 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.63059277728121e-08 5.003071271738468e-09 -1.180833970014747e-09 ] [ -1.4762008376774e-09 1.112187222672314e-08 1.276009317517893e-08 ] [ -6.38372326249888e-09 1.455340610226947e-08 -8.38725281725706e-09 ] [ 2.399639525942454e-09 -6.845007375352366e-09 1.219579984019137e-08 ] [ 5.849155270574677e-09 -1.872154372336419e-08 -5.488159082864841e-09 ] [ -2.151069241303088e-08 1.994423007150279e-08 -2.899942711761813e-08 ] [ 4.81589410409559e-09 -2.505602841329965e-08 1.909978013260214e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -38.039842 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.094654551132592e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4318933 2.610909 2.6122208 ] [ 3.8817008 1.6648726 1.2455177 ] [ 4.0388414 1.3472741 3.4403143 ] [ 3.2174284 3.758225 0.9000836 ] [ 4.5975839 3.288735 2.5552456 ] [ 2.9640228 4.7343911 2.8813965 ] [ 3.4716933 3.244343 4.4513467 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4318933e-10 2.610909e-10 2.6122208e-10 ] [ 3.8817008e-10 1.6648726e-10 1.2455177e-10 ] [ 4.0388414e-10 1.3472741e-10 3.4403143e-10 ] [ 3.217428400000001e-10 3.758225e-10 9.000836e-11 ] [ 4.5975839e-10 3.288735e-10 2.5552456e-10 ] [ 2.9640228e-10 4.7343911e-10 2.8813965e-10 ] [ 3.4716933e-10 3.244343e-10 4.4513467e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.48e-05 1.8e-06 -0.0001173 ] [ 1.31e-05 -3.72e-05 -0.0001847 ] [ 0.0001226 -4.61e-05 0.0002145 ] [ -8.6e-06 3.5e-06 0.0001311 ] [ -0.0001499 6.12e-05 -6.59e-05 ] [ 0.0001552 8e-06 -1.4e-06 ] [ -4.76e-05 8.8e-06 2.38e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.3586457744384e-13 2.88391791744e-15 -1.8793531761984e-13 ] [ 2.098851373248e-14 -5.960097029376001e-14 -2.9592202186176e-13 ] [ 1.9642685371008e-13 -7.386034221888001e-14 3.436668851616e-13 ] [ -1.377871893888e-14 5.6076181728e-15 2.1004535498688e-13 ] [ -2.4016627545792e-13 9.805320919295999e-14 -1.0558343931072e-13 ] [ 2.4865781154816e-13 1.28174129664e-14 -2.24304726912e-15 ] [ -7.626360715008e-14 1.409915426304e-14 3.813180357504e-14 ] ] } "relaxed-potential-energy" { "source-value" -52.328123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.383889528094676e-18 } }