{ "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" [ [ -3.1248634 -3.1425888 -1.9444742 ] [ -7.4398714 -0.2083962 6.473508 ] [ 2.1445711 -5.0592262 -11.701899 ] [ 4.6409973 -6.0141224 4.8319461 ] [ 1.6925149 10.3777251 -4.355495 ] [ 2.0866515 4.0466085 6.696414 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.006583082673599e-09 -5.034982304147927e-09 -3.115391102988783e-09 ] [ -1.191998801883856e-08 -3.33887519503561e-10 1.037170317216177e-08 ] [ 3.435981678063339e-09 -8.105773936978825e-09 -1.87485089967629e-08 ] [ 7.435697371255924e-09 -9.635686303909587e-09 7.74163107438574e-09 ] [ 2.71170780313565e-09 1.662694853230934e-08 -6.978272261011296e-09 ] [ 3.343184249057251e-09 6.483381532230556e-09 1.072883795399781e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.9765388 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.117764735946409e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2828535 0.2664724 1.0698526 ] [ 0.2441752 1.4367233 3.1566647 ] [ 2.4708814 0.7688709 0.3050634 ] [ 3.7142049 0.4628958 2.3952522 ] [ 2.5614895 3.1535692 0.8649129 ] [ 2.4174042 2.3858472 3.1883167 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.828535e-11 2.664724e-11 1.0698526e-10 ] [ 2.441752e-11 1.4367233e-10 3.1566647e-10 ] [ 2.4708814e-10 7.688709e-11 3.050634e-11 ] [ 3.7142049e-10 4.628958000000001e-11 2.3952522e-10 ] [ 2.5614895e-10 3.1535692e-10 8.649129e-11 ] [ 2.4174042e-10 2.3858472e-10 3.1883167e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.35e-05 1.2e-06 4.2e-06 ] [ -3.42e-05 5.51e-05 -7.1e-06 ] [ 5.82e-05 6.99e-05 2.27e-05 ] [ -4.26e-05 1.16e-05 -1.12e-05 ] [ -8.61e-05 -9.21e-05 2.09e-05 ] [ 7.12e-05 -4.58e-05 -2.95e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.36729167968e-14 1.92261194496e-15 6.72914180736e-15 ] [ -5.479444043136e-14 8.827993180608e-14 -1.137545400768e-14 ] [ 9.324667933055999e-14 1.1199214579392e-13 3.636940929216e-14 ] [ -6.825272404608e-14 1.858524880128e-14 -1.794437815296e-14 ] [ -1.3794740705088e-13 -1.4756046677568e-13 3.348549137472e-14 ] [ 1.1407497540096e-13 -7.337968923264e-14 -4.72642103136e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.186062 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.753510674001929e-18 } }