{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4582003 -9.0434565 -0.5831564 ] [ -18.3248875 -17.6649608 14.6494483 ] [ -8.5334155 6.6277134 -5.2463503 ] [ 9.7077729 4.9758541 -42.6566554 ] [ -0.8221194 -38.2185518 40.4384013 ] [ -13.1427823 37.5097315 -19.4234784 ] [ 30.6572315 15.8136701 12.821791 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.341178083035463e-10 -1.448921457552179e-08 -9.343195503498933e-10 ] [ -2.935970633129016e-08 -2.830238720110846e-08 2.34710035738783e-08 ] [ -1.367203880967234e-08 1.061876745884288e-08 -8.405579795187066e-09 ] [ 1.555356678041582e-08 7.972197107531825e-09 -6.834349600340207e-08 ] [ -1.317180482186123e-09 -6.123287017479377e-08 6.478946114538833e-08 ] [ -2.105705853332405e-08 6.009721486178532e-08 -3.111984298709379e-08 ] [ 4.911829956775332e-08 2.5336292523264e-08 2.054277377698385e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.381351 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.417521518918701e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.4381007 1.0571193 1.8343408 ] [ 2.0401296 2.548004 4.1396421 ] [ 0.9807957 3.2552814 1.7730993 ] [ 4.5620027 2.4649622 1.1497816 ] [ 4.4554155 1.5710512 3.6436589 ] [ 3.3042614 4.3220234 2.4460179 ] [ 4.9248024 3.9806755 4.4215605 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4381007e-10 1.0571193e-10 1.8343408e-10 ] [ 2.0401296e-10 2.548004e-10 4.1396421e-10 ] [ 9.807957000000001e-11 3.2552814e-10 1.7730993e-10 ] [ 4.5620027e-10 2.4649622e-10 1.1497816e-10 ] [ 4.4554155e-10 1.5710512e-10 3.6436589e-10 ] [ 3.3042614e-10 4.3220234e-10 2.4460179e-10 ] [ 4.9248024e-10 3.9806755e-10 4.4215605e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.87e-05 -6.1e-05 -2.77e-05 ] [ -4.38e-05 2.3e-06 1.25e-05 ] [ -5.98e-05 9.9e-06 2.68e-05 ] [ -5e-07 2.37e-05 9.3e-06 ] [ 2.97e-05 2.88e-05 3.47e-05 ] [ 9.78e-05 4.32e-05 -2e-07 ] [ -4.21e-05 -4.68e-05 -5.54e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.996070280896e-14 -9.773277386880001e-14 -4.438029239616e-14 ] [ -7.017533599104001e-14 3.68500622784e-15 2.002720776e-14 ] [ -9.581016192383999e-14 1.586154854592e-14 4.293833343744e-14 ] [ -8.010883104e-16 3.797158591296e-14 1.490024257344e-14 ] [ 4.758464563776e-14 4.614268667904e-14 5.559552874176001e-14 ] [ 1.5669287351424e-13 6.921403001856e-14 -3.2043532416e-16 ] [ -6.745163573568001e-14 -7.498186585344001e-14 -8.876058479231999e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.35204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.901626915678643e-18 } }