{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.410965 5.1640349 0.6230928 ] [ -3.0319659 9.4950959 1.3681136 ] [ -4.82882 -12.0329148 -1.5823935 ] [ 7.6420614 -12.8287689 -9.0034217 ] [ -0.124513 -2.4314466 11.5766528 ] [ 0.6497758 17.1111346 -1.8673478 ] [ -3.7175033 -4.4771352 -1.1146963 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.464968377367072e-09 8.273695985775265e-09 9.983047167488103e-10 ] [ -4.857744880042831e-09 1.521282066323394e-08 2.191959624518523e-09 ] [ -7.736622510051458e-09 -1.927885477263831e-08 -2.535273870605885e-09 ] [ 1.224393210979812e-08 -2.055395360522614e-08 -1.442507175494339e-08 ] [ -1.994918175856704e-10 -3.89560689724365e-09 1.854784246327886e-08 ] [ 1.041055595521617e-09 2.741505981148196e-08 -2.991820988062314e-09 ] [ -5.956096875006849e-09 -7.173161345600732e-09 -1.785940351152263e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.6728785 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.486776684538974e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.9283289 1.961276 0.5937873 ] [ 1.55501 0.9557484 2.5203284 ] [ 2.2530224 1.8717089 4.4056416 ] [ 6.5454046 2.571515 2.0384129 ] [ 3.6688259 3.5511533 4.2661869 ] [ 4.6983775 3.7473108 2.3163901 ] [ 3.3086608 3.6741945 0.6042126 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9283289e-10 1.961276e-10 5.937873000000001e-11 ] [ 1.55501e-10 9.557484000000001e-11 2.5203284e-10 ] [ 2.2530224e-10 1.8717089e-10 4.4056416e-10 ] [ 6.545404600000001e-10 2.571515000000001e-10 2.0384129e-10 ] [ 3.6688259e-10 3.5511533e-10 4.2661869e-10 ] [ 4.6983775e-10 3.7473108e-10 2.3163901e-10 ] [ 3.3086608e-10 3.6741945e-10 6.042126e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.5286997 -0.4968702 -0.0362579 ] [ -0.0455502 0.1926485 0.4775324 ] [ -0.5890688 -0.6378697 -0.3626675 ] [ 0.0770494 0.3206856 0.0378763 ] [ 0.4700088 0.3487588 -0.2126821 ] [ 0.513708 -0.1431606 0.5387349 ] [ 0.1025526 0.4158076 -0.4425361 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.470702987639737e-10 -7.960738180122201e-10 -5.809155969930432e-11 ] [ -7.297946551276417e-11 3.086569227321888e-10 7.650912469545139e-10 ] [ -9.437922594027111e-10 -1.02197992045671e-09 -5.81057389623984e-10 ] [ 1.234467473266675e-10 5.137949709472205e-10 6.068452234240705e-11 ] [ 7.530371109302631e-10 5.58773195658263e-10 -3.407542882826477e-10 ] [ 8.230509475179264e-10 -2.293685663397005e-10 8.631484615890259e-10 ] [ 1.643073781222541e-10 6.661972154709581e-10 -7.090209932800109e-10 ] ] } "relaxed-potential-energy" { "source-value" -16.57979 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.656375191577363e-18 } }