{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.993524 1.997967 0.9576204 ] [ 2.385878 2.876706 2.947868 ] [ 2.853087 4.16342 1.184171 ] [ 3.781435 0.9707609 1.823891 ] [ 5.674201 1.959984 2.894152 ] [ 4.915062 3.13192 0.9889037 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.993524e-10 1.997967e-10 9.576204e-11 ] [ 2.385878e-10 2.876706e-10 2.947868e-10 ] [ 2.853087e-10 4.16342e-10 1.184171e-10 ] [ 3.781435e-10 9.707609000000001e-11 1.823891e-10 ] [ 5.674201e-10 1.959984e-10 2.894152e-10 ] [ 4.915062e-10 3.13192e-10 9.889037000000001e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0461929 -0.2248523 -1.4068441 ] [ 0.1894734 -0.56627 1.8395938 ] [ 0.186519 1.1061667 -0.7552839 ] [ 0.9370922 -0.1419532 0.6895467 ] [ -0.6604962 0.1450014 -0.3540762 ] [ 0.3936045 -0.3180927 -0.0129363 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.676185805226953e-09 -3.602530981931079e-10 -2.254012726130417e-09 ] [ 3.035698517434867e-10 -9.072645550604161e-10 2.947354178128631e-09 ] [ 2.988363811349952e-10 1.772274425447487e-09 -1.210098206646645e-09 ] [ 1.501387214374038e-09 -2.274340982877466e-10 1.104775601689791e-09 ] [ -1.058231569767241e-09 2.323178530632691e-10 -5.672926096217049e-10 ] [ 6.306239277416736e-10 -5.096406871871482e-10 -2.072623741965504e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -16.027011 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.567810232550443e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.941312 1.9151369 1.331286 ] [ 2.6967138 3.1292924 3.2630334 ] [ 2.9752184 4.0688331 1.0684641 ] [ 4.0668801 0.8732226 1.1549467 ] [ 4.8222701 2.087351 3.0867185 ] [ 5.1007925 3.0269218 0.8921575 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.941312e-10 1.9151369e-10 1.331286e-10 ] [ 2.6967138e-10 3.129292400000001e-10 3.2630334e-10 ] [ 2.975218400000001e-10 4.0688331e-10 1.0684641e-10 ] [ 4.0668801e-10 8.732226e-11 1.1549467e-10 ] [ 4.8222701e-10 2.087351e-10 3.0867185e-10 ] [ 5.1007925e-10 3.0269218e-10 8.921575e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.4e-06 8.5e-06 -1.43e-05 ] [ -4.5e-06 -2.98e-05 -2.4e-06 ] [ 2.35e-05 9e-07 9.4e-06 ] [ -9e-07 2.2e-05 3.66e-05 ] [ 3e-06 1.89e-05 -3.59e-05 ] [ -2.85e-05 -2.04e-05 6.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.185610699392e-14 1.36185012768e-14 -2.291112567744e-14 ] [ -7.2097947936e-15 -4.774486329984001e-14 -3.84522388992e-15 ] [ 3.76511505888e-14 1.44195895872e-15 1.506046023552e-14 ] [ -1.44195895872e-15 3.52478856576e-14 5.863966432128e-14 ] [ 4.8065298624e-15 3.028113813312e-14 -5.751814068672e-14 ] [ -4.56620336928e-14 -3.268440306432e-14 1.057436569728e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.513765 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.806014482518531e-18 } }