{ "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" [ [ 5.6983842 -4.5848229 -0.4621704 ] [ -5.2027978 6.3265851 -4.5793046 ] [ 1.715082 -0.1690057 6.0673406 ] [ -0.7540087 0.5415419 0.2337114 ] [ 0.2739101 -1.2851123 -0.5062269 ] [ 0.1873666 -0.0489526 1.165957 ] [ -1.9179363 -0.7802335 -1.9193071 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.12981794157611e-09 -7.345696060888456e-09 -7.404786097057843e-10 ] [ -8.335800997909674e-09 1.013630673672163e-08 -7.336854769641896e-09 ] [ 2.747864283154905e-09 -2.707769813219386e-10 9.720951259750645e-09 ] [ -1.208055111019801e-09 8.676457713636117e-10 3.744469410944372e-10 ] [ 4.388523584209901e-10 -2.058976882162516e-09 -8.110649040000596e-10 ] [ 3.001943860387853e-10 -7.843071124737409e-11 1.868069046258105e-09 ] [ -3.072872700043655e-09 -1.250071872464957e-09 -3.075068963755448e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.909062 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.869348043685769e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.5581735 0.7333136 2.6480409 ] [ 1.3004037 3.5594227 2.150576 ] [ 1.991682 2.0248024 3.7376862 ] [ 2.7856746 5.2665891 3.0910005 ] [ 4.8119247 2.6419053 2.3405529 ] [ 3.4545554 4.0308251 1.0834611 ] [ 3.7533091 3.5374368 4.2805191 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.5581735e-10 7.333136e-11 2.6480409e-10 ] [ 1.3004037e-10 3.5594227e-10 2.150576e-10 ] [ 1.991682e-10 2.0248024e-10 3.7376862e-10 ] [ 2.7856746e-10 5.2665891e-10 3.0910005e-10 ] [ 4.8119247e-10 2.6419053e-10 2.3405529e-10 ] [ 3.4545554e-10 4.0308251e-10 1.0834611e-10 ] [ 3.7533091e-10 3.5374368e-10 4.2805191e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.69e-05 1.22e-05 -4.52e-05 ] [ 1.8e-06 -3.88e-05 5.73e-05 ] [ -1.25e-05 3.96e-05 -5e-05 ] [ -6.5e-06 3.3e-06 9.3e-06 ] [ -2.11e-05 6.74e-05 5.59e-05 ] [ 2.36e-05 -7.52e-05 -4.57e-05 ] [ 4.17e-05 -8.4e-06 1.85e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.309855109952001e-14 1.954655477376e-14 -7.241838326016e-14 ] [ 2.88391791744e-15 -6.216445288704e-14 9.180472037184001e-14 ] [ -2.002720776e-14 6.344619418368e-14 -8.010883104e-14 ] [ -1.04141480352e-14 5.28718284864e-15 1.490024257344e-14 ] [ -3.380592669888e-14 1.0798670424192e-13 8.956167310272e-14 ] [ 3.781136825088e-14 -1.2048368188416e-13 -7.321947157056e-14 ] [ 6.681076508736e-14 -1.345828361472e-14 2.96402674848e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.541842 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.611601224216751e-18 } }