{ "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" [ [ 0.8884438 2.916456 2.400624 ] [ 2.811423 1.824332 1.936915 ] [ 1.907829 2.277214 4.357236 ] [ 1.702277 4.831739 3.243262 ] [ 3.61245 3.93555 1.732923 ] [ 3.530316 5.918227 2.544774 ] [ 3.982422 3.894872 3.827608 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.884438000000001e-11 2.916456e-10 2.400624e-10 ] [ 2.811423e-10 1.824332e-10 1.936915e-10 ] [ 1.907829e-10 2.277214e-10 4.357236e-10 ] [ 1.702277e-10 4.831739e-10 3.243262e-10 ] [ 3.61245e-10 3.93555e-10 1.732923e-10 ] [ 3.530316e-10 5.918227e-10 2.544774e-10 ] [ 3.982422e-10 3.894872e-10 3.827608e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0913036 -0.4600925 -0.3386397 ] [ 0.5909914 -1.8683448 -1.2995745 ] [ 0.0453261 -0.6231931 1.2647631 ] [ -2.0943048 1.2406498 0.9616919 ] [ 0.8536229 -4.2197692 -7.6949678 ] [ 0.923445 6.5168038 1.0126412 ] [ 1.772223 -0.586054 6.0940859 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.350637762520082e-09 -7.371494529786449e-10 -5.425606146847697e-10 ] [ 9.468726119749474e-10 -2.993418382815403e-09 -2.082147898042233e-09 ] [ 7.26204183303474e-11 -9.984654232900253e-10 2.026373886365405e-09 ] [ -3.355446215034043e-09 1.987740120536773e-09 1.540800291287064e-09 ] [ 1.367654664627318e-09 -6.760815613112872e-09 -1.232869760854238e-08 ] [ 1.47952200178413e-09 1.044107077672241e-08 1.622430069265721e-09 ] [ 2.839414280837382e-09 -9.389620250622359e-10 9.76380203456886e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.946757 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.914081491747594e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9638452 2.8526884 3.3023291 ] [ 3.1768946 2.1829524 3.0738735 ] [ -0.8125117 1.5124684 3.8648095 ] [ 0.8828324 5.1309421 2.8527883 ] [ 4.4637842 4.0263316 2.4871812 ] [ 3.0325291 5.8518058 2.3521176 ] [ 6.727787 4.0412012 2.1102428 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.638451999999999e-11 2.8526884e-10 3.3023291e-10 ] [ 3.1768946e-10 2.1829524e-10 3.0738735e-10 ] [ -8.125117e-11 1.5124684e-10 3.8648095e-10 ] [ 8.828324e-11 5.130942100000001e-10 2.8527883e-10 ] [ 4.4637842e-10 4.0263316e-10 2.4871812e-10 ] [ 3.0325291e-10 5.8518058e-10 2.3521176e-10 ] [ 6.727787e-10 4.0412012e-10 2.1102428e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.4e-06 8.9e-06 -2.55e-05 ] [ 2.02e-05 -2e-06 -3.64e-05 ] [ -1.42e-05 3.2e-06 2.93e-05 ] [ -1.16e-05 -4.7e-06 6.9e-06 ] [ -3.96e-05 -1.66e-05 3.82e-05 ] [ 9e-06 7e-07 -1.44e-05 ] [ 2.88e-05 1.04e-05 2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.18561070916e-14 1.42593720426e-14 -4.0855504167e-14 ] [ 3.236396800679999e-14 -3.204353268e-15 -5.831922947759999e-14 ] [ -2.27509082028e-14 5.1269652288e-15 4.69437753762e-14 ] [ -1.85852489544e-14 -7.530230179799999e-15 1.10550187746e-14 ] [ -6.34461947064e-14 -2.65961321244e-14 6.12031474188e-14 ] [ 1.4419589706e-14 1.1215236438e-15 -2.30713435296e-14 ] [ 4.614268705919999e-14 1.66626369936e-14 3.204353268e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.766027 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.846431333841312e-18 } }