{ "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" [ [ 1.662864 2.785445 0.9951273 ] [ 1.604551 1.254517 2.754062 ] [ 1.304297 2.979259 4.142484 ] [ 2.049326 4.702389 2.752286 ] [ 3.428978 2.585226 4.349041 ] [ 3.762165 3.432195 2.245626 ] [ 3.938407 4.831482 3.738967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.662864e-10 2.785445e-10 9.951273000000001e-11 ] [ 1.604551e-10 1.254517e-10 2.754062e-10 ] [ 1.304297e-10 2.979259e-10 4.142484e-10 ] [ 2.049326e-10 4.702389e-10 2.752286e-10 ] [ 3.428978e-10 2.585226e-10 4.349041e-10 ] [ 3.762165e-10 3.432195e-10 2.245626e-10 ] [ 3.938407e-10 4.831482000000001e-10 3.738967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6433029 0.784459 0.8015943 ] [ 0.3979232 -0.7580227 -0.4484453 ] [ -2.5949562 0.9735917 0.9383518 ] [ -4.6000335 1.2892049 -1.6505357 ] [ 1.7449694 -1.7563516 1.3160272 ] [ 1.5414874 -4.0015299 -5.0999101 ] [ 2.8673068 3.4686486 4.1429179 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.03068486647284e-09 1.256841869776147e-09 1.284295646826541e-09 ] [ 6.375432479139225e-10 -1.214486247975692e-09 -7.184885753676422e-10 ] [ -4.157578155640009e-09 1.559865859944927e-09 1.503405316045597e-09 ] [ -7.370066128596797e-09 2.065533950200802e-09 -2.644449710335763e-09 ] [ 2.795749176691403e-09 -2.813985471424673e-09 2.108508012176886e-09 ] [ 2.469735073537778e-09 -6.411157653212162e-09 -8.17095673040179e-09 ] [ 4.593931919620862e-09 5.557387692690651e-09 6.637686201273831e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.228237 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.561356164300153e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8865629 3.2672511 1.1565906 ] [ 2.0145798 1.4747761 2.7428894 ] [ 1.1041072 3.0425919 4.3109208 ] [ 1.4900739 4.8533442 2.8534142 ] [ 3.4444106 2.5427899 4.4483679 ] [ 4.037337 2.7130673 2.0581213 ] [ 3.7735166 4.6766925 3.4072891 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8865629e-10 3.267251100000001e-10 1.1565906e-10 ] [ 2.0145798e-10 1.4747761e-10 2.7428894e-10 ] [ 1.1041072e-10 3.0425919e-10 4.3109208e-10 ] [ 1.4900739e-10 4.853344200000001e-10 2.8534142e-10 ] [ 3.4444106e-10 2.5427899e-10 4.4483679e-10 ] [ 4.037337e-10 2.7130673e-10 2.0581213e-10 ] [ 3.7735166e-10 4.6766925e-10 3.4072891e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.05e-05 6.2e-06 2.28e-05 ] [ -3.1e-06 2.62e-05 -8.9e-06 ] [ 3.19e-05 3e-06 -3.87e-05 ] [ -2.16e-05 -2.01e-05 1.18e-05 ] [ 1.4e-05 1.49e-05 -1.44e-05 ] [ -3.61e-05 -3.41e-05 2.46e-05 ] [ -5.6e-06 3.8e-06 2.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.28446207264e-14 9.93349504896e-15 3.652962695424e-14 ] [ -4.96674752448e-15 4.197702746496e-14 -1.425937192512e-14 ] [ 5.110943420352001e-14 4.8065298624e-15 -6.200423522496e-14 ] [ -3.460701500928e-14 -3.220375007808e-14 1.890568412544e-14 ] [ 2.24304726912e-14 2.387243164992e-14 -2.307134333952e-14 ] [ -5.783857601088001e-14 -5.463422276928e-14 3.941354487168e-14 ] [ -8.972189076479999e-15 6.08827115904e-15 4.48609453824e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }