{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4109097 -1.9065247 -1.2978052 ] [ 5.7825674 -11.9470065 -2.1631958 ] [ -13.7222871 13.8066692 0.7262941 ] [ 77.5641158 -179.006242 -64.4588878 ] [ 0.3039007 -18.8812275 45.893184 ] [ -62.7309958 195.1812649 34.3268686 ] [ -5.7863913 2.7530665 -13.026458 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.26052655402395e-09 -3.05458932648386e-09 -2.079313166923696e-09 ] [ 9.264694372810129e-09 -1.914121466054612e-08 -3.465821765526937e-09 ] [ -2.198552775665962e-08 2.212072278560747e-08 1.163651436432059e-09 ] [ 1.242714139716302e-07 -2.867996182725494e-07 -1.032745238867877e-07 ] [ 4.869026005962438e-10 -3.025106152173824e-08 7.352898706466264e-08 ] [ -1.005061356983121e-07 3.127148620173443e-07 5.499770678930828e-08 ] [ -9.270820936040883e-09 4.41089881814816e-09 -2.087068663138237e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 21.971398 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.520206049191433e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0054529 1.2428505 0.3897599 ] [ 2.8815717 0.9133858 2.7832631 ] [ 2.0643331 3.4073435 3.26605 ] [ 5.1067534 2.147264 1.9789461 ] [ 4.282755 2.4727874 4.5686544 ] [ 4.4881809 4.6354484 2.9369886 ] [ 3.128583 3.5138273 0.8212977 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0054529e-10 1.2428505e-10 3.897599e-11 ] [ 2.8815717e-10 9.133858000000001e-11 2.7832631e-10 ] [ 2.0643331e-10 3.4073435e-10 3.26605e-10 ] [ 5.1067534e-10 2.147264e-10 1.9789461e-10 ] [ 4.282755e-10 2.4727874e-10 4.5686544e-10 ] [ 4.4881809e-10 4.6354484e-10 2.9369886e-10 ] [ 3.128583e-10 3.5138273e-10 8.212977e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.4e-05 -2.14e-05 -1.52e-05 ] [ 1.05e-05 -8.6e-06 -8.8e-06 ] [ 1.69e-05 1.53e-05 2.72e-05 ] [ -5.8e-06 -7.2e-06 -1.09e-05 ] [ -1.1e-05 2.56e-05 -5e-07 ] [ -1.54e-05 -1.49e-05 1.4e-05 ] [ 1.88e-05 1.13e-05 -5.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.243047287599999e-14 -3.42865799676e-14 -2.43530848368e-14 ] [ 1.6822854657e-14 -1.37787190524e-14 -1.40991543792e-14 ] [ 2.70767851146e-14 2.45133025002e-14 4.35792044448e-14 ] [ -9.2926244772e-15 -1.15356717648e-14 -1.74637253106e-14 ] [ -1.7623942974e-14 4.10157218304e-14 -8.010883169999999e-16 ] [ -2.46735201636e-14 -2.38724318466e-14 2.243047287599999e-14 ] [ 3.012092071919999e-14 1.81045959642e-14 -9.1324068138e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.58405 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.93879904790877e-18 } }