{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6529999 -1.8532692 -4.2733983 ] [ -6.1414142 -9.4806137 4.2321656 ] [ -0.4108304 2.5932764 -1.3443252 ] [ -2.0758612 0.7491958 -0.6353638 ] [ 1.1297839 -1.1156774 -0.2473949 ] [ -0.4411429 0.7630153 0.3103292 ] [ 9.5924648 8.3440729 1.9579874 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.648397793964738e-09 -2.96926458428872e-09 -6.846738847626465e-09 ] [ -9.839630249889136e-09 -1.518961762097618e-08 6.780676779674005e-09 ] [ -6.582228619939123e-10 4.154886819352389e-09 -2.153846406192284e-09 ] [ -3.325896282665833e-09 1.200343995161552e-09 -1.017965026062647e-09 ] [ 1.810113351136245e-09 -1.78751224663493e-09 -3.963703248851539e-10 ] [ -7.067888408119123e-10 1.222485274972698e-09 4.972021889915674e-10 ] [ 1.536882283840695e-08 1.336867852263086e-08 3.137041636100978e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.621402 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.823259831011836e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7723095 1.9959436 3.0145415 ] [ 2.2887585 1.404974 5.4127178 ] [ 3.0355004 4.5612419 3.0160032 ] [ 1.3283363 3.5064438 4.5057079 ] [ 4.6750836 1.2476899 1.693574 ] [ 3.6416226 3.2888924 1.0531347 ] [ 3.803545 3.2972714 5.0132405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7723095e-10 1.9959436e-10 3.0145415e-10 ] [ 2.2887585e-10 1.404974e-10 5.4127178e-10 ] [ 3.0355004e-10 4.5612419e-10 3.0160032e-10 ] [ 1.3283363e-10 3.5064438e-10 4.5057079e-10 ] [ 4.6750836e-10 1.2476899e-10 1.693574e-10 ] [ 3.6416226e-10 3.2888924e-10 1.0531347e-10 ] [ 3.803545e-10 3.2972714e-10 5.0132405e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.25e-05 1.51e-05 1.96e-05 ] [ -4e-07 1.31e-05 -2.53e-05 ] [ -2e-06 -8.5e-06 1.2e-06 ] [ -2e-05 7.9e-06 4.16e-05 ] [ 7.7e-06 -5.2e-06 -1.19e-05 ] [ 9e-06 -1.32e-05 -2.19e-05 ] [ -1.69e-05 -9.4e-06 -3.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.604897396800001e-14 2.419286697408e-14 3.140266176767999e-14 ] [ -6.408706483200001e-16 2.098851373248e-14 -4.053506850624e-14 ] [ -3.2043532416e-15 -1.36185012768e-14 1.92261194496e-15 ] [ -3.2043532416e-14 1.265719530432e-14 6.665054742528e-14 ] [ 1.233675998016e-14 -8.33131842816e-15 -1.906590178752e-14 ] [ 1.44195895872e-14 -2.114873139456e-14 -3.508766799552e-14 ] [ -2.707678489152e-14 -1.506046023552e-14 -5.126965186560001e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.837336 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.338509257895419e-18 } }