{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6663947 -2.0574317 -2.6440109 ] [ 0.4132544 -0.1600359 2.2277685 ] [ -0.7305426 -0.6716418 -2.659676 ] [ -3.7900479 -4.6767693 6.5314986 ] [ 1.0269688 8.934498 -4.0613542 ] [ -1.2348195 0.4235537 -1.5812381 ] [ 5.9815816 -1.7921729 2.1870122 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.66985862936503e-09 -3.2963689686328e-09 -4.236172449120367e-09 ] [ 6.621065381227316e-10 -2.564057774686868e-10 3.569278607254685e-09 ] [ -1.170458274218446e-09 -1.076088789512029e-09 -4.261270706102861e-09 ] [ -6.072326137092136e-09 -7.493010433335181e-09 1.046461435570793e-08 ] [ 1.645385401651031e-09 1.431464381418436e-08 -6.507006748027889e-09 ] [ -1.978398933807945e-09 6.78607835793337e-10 -2.533422715738212e-09 ] [ 9.58355019492746e-09 -2.871377520811336e-09 3.503979816244374e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.544755 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.97119728994639e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5471192 0.7515306 2.707118 ] [ 2.848626 2.3430983 0.9227443 ] [ 1.090207 2.798725 2.506525 ] [ 2.3155967 2.3298348 4.658838 ] [ 2.5412802 4.4382784 3.5136212 ] [ 4.3508114 3.5460149 2.2890035 ] [ 4.4753126 1.720651 3.7799036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5471192e-10 7.515306e-11 2.707118e-10 ] [ 2.848626e-10 2.3430983e-10 9.227442999999999e-11 ] [ 1.090207e-10 2.798725e-10 2.506525e-10 ] [ 2.3155967e-10 2.3298348e-10 4.658838e-10 ] [ 2.5412802e-10 4.4382784e-10 3.5136212e-10 ] [ 4.350811400000001e-10 3.5460149e-10 2.2890035e-10 ] [ 4.4753126e-10 1.720651e-10 3.7799036e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.2e-06 -3.32e-05 2.05e-05 ] [ 1.72e-05 1.57e-05 -2.87e-05 ] [ -1.85e-05 2e-06 2.01e-05 ] [ -1.04e-05 -1.47e-05 -8.8e-06 ] [ -1.1e-06 2.82e-05 3.3e-06 ] [ 1.29e-05 -1.03e-05 -2.5e-06 ] [ 5.1e-06 1.22e-05 -4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.33131842816e-15 -5.319226381056e-14 3.28446207264e-14 ] [ 2.755743787776e-14 2.515417294656e-14 -4.598246901696e-14 ] [ -2.96402674848e-14 3.2043532416e-15 3.220375007808e-14 ] [ -1.666263685632e-14 -2.355199632576e-14 -1.409915426304e-14 ] [ -1.76239428288e-15 4.518138070656001e-14 5.28718284864e-15 ] [ 2.066807840832e-14 -1.650241919424e-14 -4.005441552e-15 ] [ 8.17110076608e-15 1.954655477376e-14 -6.4087064832e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.450209 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.596919999187375e-18 } }