{ "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" [ [ -1.4055966 -1.1272005 -1.2158021 ] [ -0.5739285 -0.8902399 0.4045589 ] [ 0.6638681 -0.4772611 -0.4752522 ] [ -0.5430114 0.2885422 -1.150279 ] [ 4.8620137 -1.7241694 -0.1196604 ] [ -3.7936526 5.7485149 -2.1331983 ] [ 0.7903073 -1.8181862 4.6896332 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.252014010795969e-09 -1.80597428805407e-09 -1.947929700139544e-09 ] [ -9.195348247108128e-10 -1.42632155468333e-09 6.48174811316565e-10 ] [ 1.063633949114917e-09 -7.646565764372909e-10 -7.614379638237658e-10 ] [ -8.700001699078771e-10 4.622955669541978e-10 -1.842950121197203e-09 ] [ 7.789804680149306e-09 -2.762423902978763e-09 -1.917170953155763e-10 ] [ -6.078101503157135e-09 9.210136177100451e-09 -3.417760443790305e-09 ] [ 1.266211879307572e-09 -2.913055421901193e-09 7.513620673167492e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.592726 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.61975373973403e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6219436 2.565376 2.8653266 ] [ 3.0916393 1.5030864 1.3607903 ] [ 4.6820984 1.4728648 3.0990745 ] [ 3.8990411 3.6446984 0.8007096 ] [ 5.1175916 3.8175859 2.8576288 ] [ 2.7987381 4.6454416 2.6804883 ] [ 3.392112 2.9996968 4.4221071 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6219436e-10 2.565376e-10 2.8653266e-10 ] [ 3.0916393e-10 1.5030864e-10 1.3607903e-10 ] [ 4.6820984e-10 1.4728648e-10 3.0990745e-10 ] [ 3.8990411e-10 3.6446984e-10 8.007096e-11 ] [ 5.1175916e-10 3.8175859e-10 2.8576288e-10 ] [ 2.7987381e-10 4.6454416e-10 2.6804883e-10 ] [ 3.392112e-10 2.9996968e-10 4.4221071e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.79e-05 -8.6e-06 -2e-06 ] [ -1.3e-06 -4.52e-05 -1.76e-05 ] [ -2.36e-05 -3.39e-05 -2.3e-06 ] [ -3.24e-05 2.28e-05 5e-07 ] [ -2e-05 3.99e-05 3.97e-05 ] [ 4.53e-05 -3.4e-06 -3.6e-06 ] [ 1.4e-05 2.84e-05 -1.48e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.867896151232001e-14 -1.377871893888e-14 -3.2043532416e-15 ] [ -2.08282960704e-15 -7.241838326016e-14 -2.819830852608e-14 ] [ -3.781136825088e-14 -5.431378744512e-14 -3.68500622784e-15 ] [ -5.191052251392001e-14 3.652962695424e-14 8.010883104e-16 ] [ -3.2043532416e-14 6.392684716992e-14 6.360641184576e-14 ] [ 7.257860092224001e-14 -5.44740051072e-15 -5.76783583488e-15 ] [ 2.24304726912e-14 4.550181603071999e-14 -2.371221398784e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }