{ "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" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8054725 -3.6536901 -1.1739128 ] [ -1.3818478 3.478081 -0.8156395 ] [ 2.4091623 -2.1032468 0.6160544 ] [ -3.1563971 -2.5909118 -0.0216459 ] [ 0.6810563 -0.217815 -1.4322382 ] [ 0.1023734 4.1731327 0.8426271 ] [ 3.1511254 0.91445 1.9847548 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.892685828997328e-09 -5.853856857868414e-09 -1.880815643017866e-09 ] [ -2.213964238663915e-09 5.572500063448685e-09 -1.306798537901001e-09 ] [ 3.859903512772757e-09 -3.369772850732414e-09 9.870279568209715e-10 ] [ -5.05710563958092e-09 -4.151098312514846e-09 -3.468055491617473e-11 ] [ 1.091172481308551e-09 -3.48978100659552e-10 -2.294698559456675e-09 ] [ 1.640202680718067e-10 6.68609564743598e-09 1.350037439672504e-09 ] [ 5.048659445089049e-09 1.46511041089056e-09 3.17992773858058e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.533356 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.84784733425634e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6832708 2.2906665 2.8061159 ] [ 2.8175983 4.5127454 3.3121603 ] [ 5.6969134 2.4920439 1.5494376 ] [ 3.4783125 2.858719 0.7428669 ] [ 4.8174827 1.9379697 3.582014 ] [ 4.7205751 4.771158 1.7331522 ] [ 5.0362201 4.1461075 4.1187251 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6832708e-10 2.2906665e-10 2.8061159e-10 ] [ 2.8175983e-10 4.5127454e-10 3.3121603e-10 ] [ 5.6969134e-10 2.4920439e-10 1.5494376e-10 ] [ 3.4783125e-10 2.858719e-10 7.428669e-11 ] [ 4.817482700000001e-10 1.9379697e-10 3.582014e-10 ] [ 4.7205751e-10 4.771158e-10 1.7331522e-10 ] [ 5.0362201e-10 4.146107500000001e-10 4.1187251e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.12e-05 -5e-06 4.2e-06 ] [ 2.35e-05 2.19e-05 1.22e-05 ] [ 3.95e-05 -6.6e-06 1.9e-06 ] [ -3.76e-05 -1.94e-05 -2.38e-05 ] [ -1.52e-05 1.77e-05 -5.2e-06 ] [ -4.8e-06 7.6e-06 1.34e-05 ] [ -2.66e-05 -1.6e-05 -2.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.396614436096001e-14 -8.010883104e-15 6.72914180736e-15 ] [ 3.76511505888e-14 3.508766799552e-14 1.954655477376e-14 ] [ 6.32859765216e-14 -1.057436569728e-14 3.04413557952e-15 ] [ -6.024184094208e-14 -3.108222644352e-14 -3.813180357504e-14 ] [ -2.435308463616e-14 2.835852618816e-14 -8.33131842816e-15 ] [ -7.69044777984e-15 1.217654231808e-14 2.146916671872e-14 ] [ -4.261789811328e-14 -2.56348259328e-14 -4.32587687616e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }