{ "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" [ [ 1.032434 0.1172693 0.4247075 ] [ 0.2432392 0.0735251 2.276612 ] [ 0.5624588 1.720194 2.530042 ] [ 2.331345 1.198395 0.9085221 ] [ 2.704395 0.5611016 2.497073 ] [ 2.283372 2.154556 2.294867 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.032434e-10 1.172693e-11 4.247075e-11 ] [ 2.432392e-11 7.35251e-12 2.276612e-10 ] [ 5.624588000000001e-11 1.720194e-10 2.530042e-10 ] [ 2.331345e-10 1.198395e-10 9.085221e-11 ] [ 2.704395e-10 5.611016e-11 2.497073e-10 ] [ 2.283372e-10 2.154556e-10 2.294867e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.2269723 -17.8350361 -19.914222 ] [ -30.9734499 -50.0622315 8.7712517 ] [ -22.2011846 30.1099434 10.8219457 ] [ 21.7750606 11.0404482 -53.7922651 ] [ 21.0617224 -48.4046581 33.1326613 ] [ 26.5648238 75.151534 20.9806284 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.59984756454292e-08 -2.857487787054401e-08 -3.190610090982102e-08 ] [ -4.96249372953001e-08 -8.020853689437732e-08 1.405309440889226e-08 ] [ -3.5570218920185e-08 4.824144736909126e-08 1.733866839210709e-08 ] [ 3.488749300982322e-08 1.768874798919344e-08 -8.618470952309577e-08 ] [ 3.374459922305966e-08 -7.755281154563735e-08 5.308437531974494e-08 ] [ 4.256153962803141e-08 1.204060307920563e-07 3.361467231217251e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 42.845386 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.864587575835163e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.805248 -0.100576 0.0189867 ] [ 0.3577337 -0.1333984 2.3645725 ] [ 0.0666324 2.1485835 3.0056104 ] [ 2.8208463 1.1302006 0.4031168 ] [ 2.7777366 0.1524454 2.7478114 ] [ 2.3290469 2.627786 2.3917258 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.05248e-11 -1.00576e-11 1.89867e-12 ] [ 3.577337e-11 -1.333984e-11 2.3645725e-10 ] [ 6.66324e-12 2.1485835e-10 3.0056104e-10 ] [ 2.8208463e-10 1.1302006e-10 4.031168e-11 ] [ 2.7777366e-10 1.524454e-11 2.7478114e-10 ] [ 2.3290469e-10 2.627786e-10 2.3917258e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-07 -5.4e-06 8.1e-06 ] [ 0.0 -4.1e-06 -7.7e-06 ] [ -1.4e-06 1.34e-05 1.6e-06 ] [ 4.2e-06 -6.8e-06 4e-06 ] [ 7.8e-06 -1.43e-05 -1.5e-05 ] [ -1.02e-05 1.71e-05 9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.408706483200001e-16 -8.65175375232e-15 1.297763062848e-14 ] [ 0.0 -6.568924145279999e-15 -1.233675998016e-14 ] [ -2.24304726912e-15 2.146916671872e-14 2.56348259328e-15 ] [ 6.72914180736e-15 -1.089480102144e-14 6.4087064832e-15 ] [ 1.249697764224e-14 -2.291112567744e-14 -2.4032649312e-14 ] [ -1.634220153216e-14 2.739722021568e-14 1.44195895872e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.521764 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.326643077357509e-18 } }