{ "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" [ [ -3.4945912 -3.7973273 -12.2677951 ] [ -8.8593026 -12.4920352 -4.5235328 ] [ -20.9806461 -2.7593468 17.054695 ] [ -23.9202955 24.4695467 -8.8647381 ] [ 15.0182495 -19.6852984 23.1315451 ] [ 26.5852697 -5.5927601 -24.9636191 ] [ 15.6513163 19.857221 10.4334451 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.598952319893417e-09 -6.083989021585588e-09 -1.96551744979848e-08 ] [ -1.419416750231265e-08 -2.001444674365065e-08 -7.247498495581963e-09 ] [ -3.36147006706987e-08 -4.420960931639294e-09 2.732463360387465e-08 ] [ -3.832453821272745e-08 3.920453564431379e-08 -1.420287613333501e-08 ] [ 2.406188823424129e-08 -3.153932486995165e-08 3.70608207622008e-08 ] [ 4.259429757100263e-08 -8.96058947796307e-09 -3.999612689257633e-08 ] [ 2.507617306060596e-08 3.181477524025879e-08 1.671622181362032e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 12.56916 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.013801429509453e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.963931 3.068376 1.0483739 ] [ 1.2080345 1.2901823 2.5049675 ] [ 1.1824457 2.7423234 4.4403383 ] [ 1.5561404 4.7219529 2.9150487 ] [ 3.479497 2.9220584 5.179442 ] [ 4.3445238 3.2829687 1.4248703 ] [ 4.0160156 4.5426513 3.4645524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.963931e-10 3.068376e-10 1.0483739e-10 ] [ 1.2080345e-10 1.2901823e-10 2.5049675e-10 ] [ 1.1824457e-10 2.7423234e-10 4.4403383e-10 ] [ 1.5561404e-10 4.7219529e-10 2.9150487e-10 ] [ 3.479497e-10 2.9220584e-10 5.179442e-10 ] [ 4.3445238e-10 3.2829687e-10 1.4248703e-10 ] [ 4.016015600000001e-10 4.5426513e-10 3.4645524e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-06 1.11e-05 -4.2e-06 ] [ 1.17e-05 1e-07 1.52e-05 ] [ 1.6e-06 -1e-07 -1.12e-05 ] [ 7e-07 3.7e-06 6.5e-06 ] [ -4.2e-06 -3.3e-06 -4.2e-06 ] [ 1.4e-06 -8.2e-06 2.2e-06 ] [ -9.2e-06 -3.3e-06 -4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2043532416e-15 1.778416049088e-14 -6.72914180736e-15 ] [ 1.874546646336e-14 1.6021766208e-16 2.435308463616e-14 ] [ 2.56348259328e-15 -1.6021766208e-16 -1.794437815296e-14 ] [ 1.12152363456e-15 5.928053496960001e-15 1.04141480352e-14 ] [ -6.72914180736e-15 -5.28718284864e-15 -6.72914180736e-15 ] [ 2.24304726912e-15 -1.313784829056e-14 3.52478856576e-15 ] [ -1.474002491136e-14 -5.28718284864e-15 -6.889359469440001e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.350653 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.619663397141338e-18 } }