{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8972175 0.0160327 0.9431077 ] [ 1.355073 0.4575797 -1.955843 ] [ -3.373383 1.1692067 0.9997208 ] [ 6.7549846 -17.8529588 -6.4212765 ] [ -0.4079828 -3.4147764 5.8959525 ] [ -3.8011729 21.1481495 2.3948254 ] [ -1.4247362 -1.5232334 -1.8564868 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.437500902272624e-09 2.568721710830016e-11 1.51102510783646e-09 ] [ 2.171066280077318e-09 7.331234974926778e-10 -3.133605928555335e-09 ] [ -5.404755375604166e-09 1.873275639622719e-09 1.601729293087473e-09 ] [ 1.082267839998404e-08 -2.860359320146562e-08 -1.028801908399245e-08 ] [ -6.536605038485222e-10 -5.471074913339589e-09 9.44635725284731e-09 ] [ -6.090150351998536e-09 3.388307070208321e-08 3.836933266778009e-09 ] [ -2.282679030447433e-09 -2.440488941501695e-09 -2.974419747783806e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.744322 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.52251846187471e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1401623 1.5878947 0.3906634 ] [ 2.6901266 0.6816115 2.4840243 ] [ 2.1618553 2.8103167 3.3865262 ] [ 4.7868216 1.7637809 2.2437846 ] [ 4.3836278 3.0912157 4.1673954 ] [ 4.502135 4.9487557 2.7386092 ] [ 3.2929014 3.4493317 1.3339567 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1401623e-10 1.5878947e-10 3.906634e-11 ] [ 2.6901266e-10 6.816115e-11 2.4840243e-10 ] [ 2.1618553e-10 2.8103167e-10 3.3865262e-10 ] [ 4.7868216e-10 1.7637809e-10 2.2437846e-10 ] [ 4.383627800000001e-10 3.0912157e-10 4.1673954e-10 ] [ 4.502135e-10 4.948755700000001e-10 2.7386092e-10 ] [ 3.2929014e-10 3.4493317e-10 1.3339567e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.5e-06 -1.89e-05 5.48e-05 ] [ -3.35e-05 3.26e-05 -2.3e-05 ] [ -3.47e-05 -8.24e-05 -1.87e-05 ] [ 2.34e-05 1.23e-05 -2.75e-05 ] [ -2.15e-05 6.1e-06 2.33e-05 ] [ 3.37e-05 2.56e-05 -4.06e-05 ] [ 4.21e-05 2.47e-05 3.16e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.52206778976e-14 -3.028113813312e-14 8.779927881984e-14 ] [ -5.36729167968e-14 5.223095783807999e-14 -3.68500622784e-14 ] [ -5.559552874176001e-14 -1.3201935355392e-13 -2.996070280896e-14 ] [ 3.749093292672001e-14 1.970677243584e-14 -4.4059857072e-14 ] [ -3.44467973472e-14 9.77327738688e-15 3.733071526464e-14 ] [ 5.399335212096e-14 4.101572149248001e-14 -6.504837080448e-14 ] [ 6.745163573568001e-14 3.957376253376001e-14 5.062878121728e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.032118 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.529934436630686e-18 } }