{ "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" [ [ 17.259491 -21.1760299 -10.058197 ] [ -21.0935588 -16.0703958 31.9048722 ] [ 3.739964 -66.5520432 -140.3419906 ] [ -39.4504901 -47.4591402 70.435182 ] [ 1.6858958 96.2944188 22.5558683 ] [ 37.8586981 54.9631903 25.5042651 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.765275296710801e-08 -3.392774002714176e-08 -1.61150080808007e-08 ] [ -3.37956067588301e-08 -2.574761243776251e-08 5.111724032845186e-08 ] [ 5.992082883433651e-09 -1.066281276815116e-07 -2.248526562558534e-07 ] [ -6.320665291732186e-08 -7.603792487170944e-08 1.12849601882193e-07 ] [ 2.701102835864912e-09 1.54280666514884e-07 3.613848485210384e-08 ] [ 6.065632098974538e-08 8.806073850324134e-08 4.086233727390537e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 58.070135 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.303861266369982e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5886036 -0.357061 1.3828689 ] [ -0.01805 1.6540897 3.2443889 ] [ 2.5066444 0.939366 -0.3251925 ] [ 3.3041397 0.154233 2.3973637 ] [ 2.7044011 3.4943264 0.8198274 ] [ 2.6052699 2.5894247 3.460806 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.886036e-11 -3.57061e-11 1.3828689e-10 ] [ -1.805e-12 1.6540897e-10 3.2443889e-10 ] [ 2.5066444e-10 9.39366e-11 -3.251925e-11 ] [ 3.3041397e-10 1.54233e-11 2.3973637e-10 ] [ 2.7044011e-10 3.4943264e-10 8.198274e-11 ] [ 2.6052699e-10 2.5894247e-10 3.460806e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.72e-05 1.14e-05 -6.5e-06 ] [ 6.65e-05 7.92e-05 1.57e-05 ] [ -2.56e-05 -3.16e-05 5.1e-06 ] [ 1.2e-05 2.64e-05 -5.32e-05 ] [ 5.3e-06 -3.79e-05 2.83e-05 ] [ -0.0001154 -4.75e-05 1.05e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.164450270976e-14 1.826481347712e-14 -1.04141480352e-14 ] [ 1.065447452832e-13 1.2689238836736e-13 2.515417294656e-14 ] [ -4.101572149248001e-14 -5.062878121728e-14 8.17110076608e-15 ] [ 1.92261194496e-14 4.229746278912e-14 -8.523579622656e-14 ] [ 8.491536090240001e-15 -6.072249392832e-14 4.534159836864e-14 ] [ -1.8489118204032e-13 -7.610338948800001e-14 1.68228545184e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.691321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.514026765566808e-18 } }