{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 17.8595296 -19.6073339 -1.1830055 ] [ -19.7778857 22.9850454 -16.4456914 ] [ 1.796452 -4.5988548 19.2316807 ] [ -5.9875574 6.8900402 0.2776348 ] [ 6.4108228 -5.2617853 -3.000891 ] [ 0.6410283 0.7774652 -1.0997267 ] [ -0.9423896 -1.1845767 2.2199991 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.861412101935136e-08 -3.141441222961609e-08 -1.895383769993487e-09 ] [ -3.168766633846273e-08 3.682610267130918e-08 -2.634890249105475e-08 ] [ 2.878233418502568e-09 -7.368177703718742e-09 3.081254945008876e-08 ] [ -9.59312456101379e-09 1.103906141576068e-08 4.448199893452632e-10 ] [ 1.027127049487445e-08 -8.430309460784679e-09 -4.807957441380894e-09 ] [ 1.027040563992742e-09 1.245636577188137e-09 -1.761956422525927e-09 ] [ -1.509874597244606e-09 -1.897901109920828e-09 3.556830685521029e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.696241 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.194379730383279e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.209891 1.3429425 2.1448689 ] [ 1.3446408 3.4128262 1.7678606 ] [ 1.8736332 2.2971475 4.1693262 ] [ 2.7753358 4.8487978 3.4066513 ] [ 4.8596496 3.4209354 2.515576 ] [ 3.457433 3.2600758 0.262818 ] [ 4.1351395 3.2115697 5.0647356 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.209891e-10 1.3429425e-10 2.1448689e-10 ] [ 1.3446408e-10 3.4128262e-10 1.7678606e-10 ] [ 1.8736332e-10 2.2971475e-10 4.169326200000001e-10 ] [ 2.7753358e-10 4.8487978e-10 3.4066513e-10 ] [ 4.8596496e-10 3.4209354e-10 2.515576e-10 ] [ 3.457433e-10 3.2600758e-10 2.62818e-11 ] [ 4.1351395e-10 3.2115697e-10 5.064735599999999e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.1e-05 2.13e-05 -1.4e-05 ] [ 6.94e-05 -6.37e-05 3.44e-05 ] [ -6.94e-05 -1.31e-05 -2.69e-05 ] [ 1.1e-06 5.99e-05 2.45e-05 ] [ 6.5e-06 -8.7e-06 -5.11e-05 ] [ -1.1e-05 -1.1e-06 1.15e-05 ] [ 1.43e-05 5.4e-06 2.16e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.7623942974e-14 3.41263623042e-14 -2.243047287599999e-14 ] [ 1.111910583996e-13 -1.020586515858e-13 5.51148762096e-14 ] [ -1.111910583996e-13 -2.09885139054e-14 -4.309855145459999e-14 ] [ 1.7623942974e-15 9.597038037659999e-14 3.925332753299999e-14 ] [ 1.0414148121e-14 -1.39389367158e-14 -8.187122599739999e-14 ] [ -1.7623942974e-14 -1.7623942974e-15 1.8425031291e-14 ] [ 2.29111258662e-14 8.6517538236e-15 3.46070152944e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.71534 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.799616361536556e-18 } }