{ "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" [ [ 0.5485971 0.5343947 2.664941 ] [ 1.37313 2.35631 1.443365 ] [ 2.145447 0.6526892 0.5854964 ] [ 2.929696 0.0722677 2.986283 ] [ 2.995983 2.738917 0.2990299 ] [ 2.823077 2.78342 2.858653 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.485971e-11 5.343947e-11 2.664941e-10 ] [ 1.37313e-10 2.35631e-10 1.443365e-10 ] [ 2.145447e-10 6.526892e-11 5.854964e-11 ] [ 2.929696e-10 7.22677e-12 2.986283e-10 ] [ 2.995983e-10 2.738917e-10 2.990299e-11 ] [ 2.823077e-10 2.78342e-10 2.858653e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3533737 -0.8754324 -0.1344125 ] [ -14.0428081 4.6233907 3.4436762 ] [ 2.0150209 -8.4476289 -1.9651357 ] [ -0.5252908 3.9490777 -0.6497398 ] [ 7.5577062 3.2648805 -4.4020802 ] [ 4.6419981 -2.5142875 3.707692 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.661670852101258e-10 -1.402597335926541e-09 -2.153525668175249e-10 ] [ -2.249905901356593e-08 7.407488549392903e-09 5.51737754270191e-09 ] [ 3.228419403001651e-09 -1.353459363628312e-08 -3.148494501179234e-09 ] [ -8.416086458151671e-10 6.327120016790462e-09 -1.040997925739833e-09 ] [ 1.210878028027693e-08 5.230915249902236e-09 -7.052910037434047e-09 ] [ 7.437300890892396e-09 -4.028332683658275e-09 5.940377488468728e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.15197 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.107177902506898e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5587728 0.3728022 2.4754315 ] [ 0.9584305 2.5817577 1.571987 ] [ 2.1683255 0.4536846 0.6154862 ] [ 2.9058572 0.3617055 2.9758098 ] [ 3.1206164 2.6677369 0.3997388 ] [ 3.1039277 2.7003116 2.799315 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.587728e-11 3.728022e-11 2.4754315e-10 ] [ 9.584305e-11 2.5817577e-10 1.571987e-10 ] [ 2.1683255e-10 4.536846e-11 6.154862e-11 ] [ 2.9058572e-10 3.617055e-11 2.9758098e-10 ] [ 3.1206164e-10 2.6677369e-10 3.997388e-11 ] [ 3.1039277e-10 2.7003116e-10 2.799315e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.9e-06 -2.11e-05 1.41e-05 ] [ 1.6e-05 -2e-07 -9.3e-06 ] [ -3.2e-06 1.38e-05 -3.7e-06 ] [ -8.1e-06 -6.3e-06 5.1e-06 ] [ 7e-07 4.6e-06 1.2e-06 ] [ 2.4e-06 9.2e-06 -7.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.26571954086e-14 -3.38059269774e-14 2.25906905394e-14 ] [ 2.5634826144e-14 -3.204353268e-16 -1.49002426962e-14 ] [ -5.1269652288e-15 2.21100375492e-14 -5.9280535458e-15 ] [ -1.29776307354e-14 -1.00937127942e-14 8.1711008334e-15 ] [ 1.1215236438e-15 7.370012516399999e-15 1.9226119608e-15 ] [ 3.845223921599999e-15 1.47400250328e-14 -1.16958894282e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.800889 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.852016842022763e-18 } }