{ "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" [ [ 0.8494568 1.09498 0.2360667 ] [ 0.557157 2.835915 1.114432 ] [ 0.135541 1.869398 2.917972 ] [ 1.620291 0.3348641 1.837353 ] [ 2.814436 1.836887 0.4161362 ] [ 2.451507 2.913738 2.050042 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.494568e-11 1.09498e-10 2.360667e-11 ] [ 5.57157e-11 2.835915e-10 1.114432e-10 ] [ 1.35541e-11 1.869398e-10 2.917972e-10 ] [ 1.620291e-10 3.348641e-11 1.837353e-10 ] [ 2.814436e-10 1.836887e-10 4.161362e-11 ] [ 2.451507e-10 2.913738e-10 2.050042e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -21.0037251 -25.5537253 -44.1895023 ] [ -35.0121539 42.3444951 -7.3742456 ] [ -19.4446153 -0.1506216 28.8717367 ] [ 7.1056819 -51.3786745 21.1758158 ] [ 36.611666 -0.8166903 -21.0660621 ] [ 31.7431463 35.5552166 22.5822575 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.365167730493014e-08 -4.094158125000547e-08 -7.079938746984784e-08 ] [ -5.609565442243155e-08 6.784336006880016e-08 -1.181484389635727e-08 ] [ -3.115370803410998e-08 -2.413224061074893e-10 4.625762154263335e-08 ] [ 1.138455741502172e-08 -8.231771109159313e-08 3.392739700112725e-08 ] [ 5.865835531373825e-08 -1.308482105094138e-09 -3.375155218894096e-08 ] [ 5.085812687249403e-08 5.696573678400007e-08 3.618076501138546e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 35.266242 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.650274843587504e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1719805 1.0030163 0.0801697 ] [ 0.3921401 3.0408261 1.4617094 ] [ 0.0126667 1.5310428 3.3134762 ] [ 0.7405248 -0.3708433 2.0240882 ] [ 3.4194481 1.889928 0.2015729 ] [ 2.6916286 3.7918122 1.4909855 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1719805e-10 1.0030163e-10 8.01697e-12 ] [ 3.921401e-11 3.0408261e-10 1.4617094e-10 ] [ 1.26667e-12 1.5310428e-10 3.3134762e-10 ] [ 7.405248e-11 -3.708433e-11 2.0240882e-10 ] [ 3.4194481e-10 1.889928e-10 2.015729e-11 ] [ 2.6916286e-10 3.7918122e-10 1.4909855e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.3e-06 3.4e-06 -4.32e-05 ] [ -2.36e-05 -8.9e-06 9.5e-06 ] [ 2.12e-05 6.2e-06 1.14e-05 ] [ -1.99e-05 1.7e-06 1.55e-05 ] [ 2.98e-05 6.2e-06 1.23e-05 ] [ -6.2e-06 -8.6e-06 -5.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.08282960704e-15 5.44740051072e-15 -6.921403001856e-14 ] [ -3.781136825088e-14 -1.425937192512e-14 1.52206778976e-14 ] [ 3.396614436096001e-14 9.93349504896e-15 1.826481347712e-14 ] [ -3.188331475392e-14 2.72370025536e-15 2.48337376224e-14 ] [ 4.774486329984001e-14 9.93349504896e-15 1.970677243584e-14 ] [ -9.93349504896e-15 -1.377871893888e-14 -8.8119714144e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.100632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.098952630810435e-18 } }