{ "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" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 16.6435897 -52.1783956 -49.1687462 ] [ -54.1294648 -22.3338852 -12.4744343 ] [ 39.2630528 28.3465974 32.6660833 ] [ -40.7506273 34.8478329 24.2145872 ] [ -6.8642221 -16.8534504 -11.5630567 ] [ 42.6141277 10.5084167 -19.6370341 ] [ 3.2235441 17.6628842 35.9626008 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.666597030352769e-08 -8.359900554117358e-08 -7.877701563568884e-08 ] [ -8.672496299897655e-08 -3.578282871907114e-08 -1.998624699316561e-08 ] [ 6.290634525739598e-08 4.541625563351007e-08 5.233683495636531e-08 ] [ -6.528970234299423e-08 5.583238315792507e-08 3.879604549416294e-08 ] [ -1.099769616859868e-08 -2.700220421069241e-08 -1.85260591097248e-08 ] [ 6.827535911672567e-08 1.683633955836429e-08 -3.146199693687237e-08 ] [ 5.164686993137777e-09 2.829906012113772e-08 5.761843822492337e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 31.564746 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.057229808269032e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1396384 1.0112552 1.6601851 ] [ 0.7990476 0.703917 4.1123962 ] [ 2.1996572 2.7972988 5.3264485 ] [ 2.0166373 3.6764867 2.7536815 ] [ 4.2503557 -0.2169665 3.0792464 ] [ 4.6226469 2.7586007 2.2137226 ] [ 4.699502 1.9068507 4.9033758 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1396384e-10 1.0112552e-10 1.6601851e-10 ] [ 7.990476e-11 7.03917e-11 4.1123962e-10 ] [ 2.1996572e-10 2.7972988e-10 5.3264485e-10 ] [ 2.0166373e-10 3.6764867e-10 2.7536815e-10 ] [ 4.2503557e-10 -2.169665e-11 3.0792464e-10 ] [ 4.622646900000001e-10 2.7586007e-10 2.2137226e-10 ] [ 4.699502e-10 1.9068507e-10 4.903375800000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.1e-05 -3.4e-06 -2.31e-05 ] [ 1.07e-05 -6.22e-05 1.5e-06 ] [ 3.32e-05 2.7e-05 9.35e-05 ] [ 4.71e-05 3.2e-06 -7.91e-05 ] [ -5.2e-06 4.01e-05 1.96e-05 ] [ 8.2e-06 3.08e-05 -1.4e-05 ] [ -5.31e-05 -3.55e-05 1.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.56892414528e-14 -5.44740051072e-15 -3.701027994048e-14 ] [ 1.714328984256e-14 -9.965538581376e-14 2.4032649312e-15 ] [ 5.319226381056e-14 4.32587687616e-14 1.498035140448e-13 ] [ 7.546251883968001e-14 5.126965186560001e-15 -1.2673217070528e-13 ] [ -8.33131842816e-15 6.424728249408e-14 3.140266176767999e-14 ] [ 1.313784829056e-14 4.934703992064001e-14 -2.24304726912e-14 ] [ -8.507557856448001e-14 -5.68772700384e-14 2.88391791744e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.053204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.052659800013304e-18 } }