{ "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" [ [ 0.1515051 0.6129927 0.4125648 ] [ 0.5354239 0.8367141 2.920626 ] [ 0.0380374 2.448484 2.393252 ] [ 2.476891 0.0370714 1.494005 ] [ 2.980221 0.9767319 2.515602 ] [ 2.390623 2.921281 2.114549 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.515051e-11 6.129927e-11 4.125648000000001e-11 ] [ 5.354239e-11 8.367141000000001e-11 2.920626e-10 ] [ 3.80374e-12 2.448484e-10 2.393252e-10 ] [ 2.476891e-10 3.707139999999999e-12 1.494005e-10 ] [ 2.980221e-10 9.767319e-11 2.515602e-10 ] [ 2.390623e-10 2.921281e-10 2.114549e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4679945 0.2901536 0.9728901 ] [ 1.2365889 -6.8157415 2.196777 ] [ -2.0091914 6.518854 -2.6334656 ] [ -7.1552143 -13.3058548 -14.8345702 ] [ 8.6338134 9.5477708 15.0631625 ] [ -1.1739912 3.7648179 -0.7647938 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.498098465629855e-10 4.648773143609549e-10 1.558741772827774e-09 ] [ 1.981233825120789e-09 -1.092002168471632e-08 3.519624750511162e-09 ] [ -3.219079487792422e-09 1.044435547320856e-08 -4.219277016001045e-09 ] [ -1.146391706827384e-08 -2.131832948031946e-08 -2.376760155405638e-08 ] [ 1.383289397782976e-08 1.529721515651691e-08 2.413384679281128e-08 ] [ -1.880941253664937e-09 6.031903220949353e-09 -1.225334746092791e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.172893 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.790094795129998e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2906531 1.1651942 0.6605073 ] [ 0.5829482 0.0496982 2.8414734 ] [ 0.4127041 2.5081853 2.7263877 ] [ 2.4448621 0.1029063 1.2238097 ] [ 2.5669149 1.4458959 3.2896917 ] [ 2.2746189 2.5613953 1.1087289 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.906531e-11 1.1651942e-10 6.605073e-11 ] [ 5.829482e-11 4.96982e-12 2.8414734e-10 ] [ 4.127041e-11 2.5081853e-10 2.7263877e-10 ] [ 2.4448621e-10 1.029063e-11 1.2238097e-10 ] [ 2.5669149e-10 1.4458959e-10 3.2896917e-10 ] [ 2.2746189e-10 2.5613953e-10 1.1087289e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.7e-06 6.4e-06 -1.37e-05 ] [ 1.3e-06 -6.5e-06 9.2e-06 ] [ -6.8e-06 6.2e-06 1.21e-05 ] [ 5.9e-06 -2.4e-06 -2.7e-06 ] [ -0.0 -4.2e-06 1.39e-05 ] [ 1.3e-06 4e-07 -1.88e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.72370025536e-15 1.025393037312e-14 -2.194981970496e-14 ] [ 2.08282960704e-15 -1.04141480352e-14 1.474002491136e-14 ] [ -1.089480102144e-14 9.93349504896e-15 1.938633711168e-14 ] [ 9.45284206272e-15 -3.84522388992e-15 -4.32587687616e-15 ] [ 0.0 -6.72914180736e-15 2.227025502912e-14 ] [ 2.08282960704e-15 6.408706483200001e-16 -3.012092047104e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.568499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.295436822274818e-18 } }