{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.539099 2.604661 3.099024 ] [ 2.611969 4.601789 1.586924 ] [ 4.376067 2.909228 1.297188 ] [ 4.596034 1.971363 3.954157 ] [ 4.509814 4.398854 3.387028 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.539099e-10 2.604661e-10 3.099024e-10 ] [ 2.611969e-10 4.601789e-10 1.586924e-10 ] [ 4.376067e-10 2.909228e-10 1.297188e-10 ] [ 4.596034e-10 1.971363e-10 3.954157e-10 ] [ 4.509814000000001e-10 4.398854e-10 3.387028e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7225349 0.5657862 -0.7020772 ] [ 0.5961501 -0.2014618 0.5836929 ] [ -0.0950131 -0.5138747 2.2860996 ] [ 0.8855249 0.8490831 -1.5581845 ] [ -0.664127 -0.6995328 -0.6095308 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.157628534029527e-09 9.064894294796507e-10 -1.124851685104145e-09 ] [ 9.551377605767633e-10 -3.227773886035811e-10 9.351791258116985e-10 ] [ -1.522277687439054e-10 -8.233180371437598e-10 3.662735362116746e-09 ] [ 1.418767303605186e-09 1.360381103144285e-09 -2.496486797360973e-09 ] [ -1.064048761408518e-09 -1.120775106876595e-09 -9.76576005463327e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.755657 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.043681559671854e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4424883 2.6915418 3.1307587 ] [ 2.7206034 4.5979876 1.5830971 ] [ 4.3902527 2.7825961 1.4289245 ] [ 4.7325914 1.9963809 3.74664 ] [ 4.3470472 4.4173887 3.4349007 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4424883e-10 2.6915418e-10 3.1307587e-10 ] [ 2.7206034e-10 4.5979876e-10 1.5830971e-10 ] [ 4.3902527e-10 2.7825961e-10 1.4289245e-10 ] [ 4.7325914e-10 1.9963809e-10 3.74664e-10 ] [ 4.3470472e-10 4.4173887e-10 3.4349007e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.3e-06 2.94e-05 1.01e-05 ] [ -6.1e-06 -2.19e-05 -1.16e-05 ] [ 5.5e-06 1.31e-05 -6.2e-06 ] [ 3.2e-06 -3.23e-05 -2e-06 ] [ -1.09e-05 1.17e-05 9.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.32980660622e-14 4.710399303959999e-14 1.61819840034e-14 ] [ -9.773277467399999e-15 -3.50876682846e-14 -1.85852489544e-14 ] [ 8.811971486999999e-15 2.09885139054e-14 -9.9334951308e-15 ] [ 5.1269652288e-15 -5.17503052782e-14 -3.204353268e-15 ] [ -1.74637253106e-14 1.87454666178e-14 1.55411133498e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.399219 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.146791559564885e-18 } }