{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6305471 0.004372 1.304235 ] [ 0.7154426 1.383697 2.938133 ] [ 2.486494 1.164331 0.5043625 ] [ 2.840403 0.4835428 2.252778 ] [ 2.544628 2.936148 1.00011 ] [ 2.473494 2.502288 2.980444 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.305471000000001e-11 4.372e-13 1.304235e-10 ] [ 7.154426000000001e-11 1.383697e-10 2.938133e-10 ] [ 2.486494e-10 1.164331e-10 5.043625000000001e-11 ] [ 2.840403e-10 4.835428e-11 2.252778e-10 ] [ 2.544628e-10 2.936148e-10 1.00011e-10 ] [ 2.473494e-10 2.502288e-10 2.980444e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.3199404 -1.8319765 -6.0327046 ] [ -9.4555417 5.5415851 7.7966797 ] [ 0.0972617 -12.2750234 -1.8475848 ] [ 18.19294 -4.8430166 -1.9696019 ] [ 1.3721404 12.6863715 -2.684962 ] [ -2.8868601 0.7220598 4.7381735 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.172783747115261e-08 -2.9351499423371e-09 -9.665458349944315e-09 ] [ -1.514944797355264e-08 8.878598162542553e-09 1.249165803812213e-08 ] [ 1.558304231231178e-10 -1.966675567328323e-08 -2.960157195893563e-09 ] [ 2.914830337176396e-08 -7.759368034594124e-09 -3.155650142462004e-09 ] [ 2.198411287447413e-09 2.032580798754353e-08 -4.301783379577908e-09 ] [ -4.625259797846903e-09 1.156867339910713e-09 7.591390869537999e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.7211749 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.166332743807286e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.309926 0.3429407 1.2739725 ] [ 0.3094149 1.3541888 3.0332756 ] [ 2.4086334 0.7715552 0.3492152 ] [ 3.7996706 0.3493296 2.4416248 ] [ 2.4555563 3.2867997 0.7527257 ] [ 2.4078075 2.3695647 3.1292488 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.09926e-11 3.429407e-11 1.2739725e-10 ] [ 3.094149e-11 1.3541888e-10 3.0332756e-10 ] [ 2.4086334e-10 7.715552000000001e-11 3.492152e-11 ] [ 3.7996706e-10 3.493296000000001e-11 2.4416248e-10 ] [ 2.4555563e-10 3.2867997e-10 7.527257000000001e-11 ] [ 2.4078075e-10 2.3695647e-10 3.1292488e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.8e-05 2.9e-06 1.45e-05 ] [ -2.1e-06 1.41e-05 -2.59e-05 ] [ -2.6e-05 1.7e-05 -7.4e-06 ] [ 9.7e-06 -6.7e-06 1.63e-05 ] [ -1.39e-05 -1.06e-05 -1e-07 ] [ 4.2e-06 -1.68e-05 2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.486094575199999e-14 4.6463122386e-15 2.3231561193e-14 ] [ -3.364570931399999e-15 2.25906905394e-14 -4.149637482059999e-14 ] [ -4.165659248399999e-14 2.723700277799999e-14 -1.18561070916e-14 ] [ 1.55411133498e-14 -1.07345834478e-14 2.61154791342e-14 ] [ -2.22702552126e-14 -1.69830723204e-14 -1.602176634e-16 ] [ 6.729141862799999e-15 -2.691656745119999e-14 4.005441585e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.314433 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.453642671555852e-18 } }