{ "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" [ [ 2.298469 1.653345 1.333865 ] [ 0.8562694 1.609736 3.078689 ] [ 0.6106735 3.571622 1.917701 ] [ 2.573163 3.601998 2.791817 ] [ 3.634663 1.831744 3.381139 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.298469e-10 1.653345e-10 1.333865e-10 ] [ 8.562694e-11 1.609736e-10 3.078689e-10 ] [ 6.106735e-11 3.571622e-10 1.917701e-10 ] [ 2.573163e-10 3.601998e-10 2.791817e-10 ] [ 3.634663e-10 1.831744e-10 3.381139e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4766974 -1.0341683 -1.3707276 ] [ -2.2586943 -2.0609178 1.7060567 ] [ -2.7111095 1.4321453 -1.3063586 ] [ 2.1169632 3.3052551 0.6236175 ] [ 1.3761432 -1.6423143 0.347412 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.365930069768551e-09 -1.656920285883502e-09 -2.196147732298898e-09 ] [ -3.618827230808986e-09 -3.301954343754685e-09 2.733404181019147e-09 ] [ -4.343676293115423e-09 2.29454973615292e-09 -2.093017224544952e-09 ] [ 3.391748974077868e-09 5.295602490629333e-09 9.991453870534951e-10 ] [ 2.204824480077989e-09 -2.631277597144066e-09 5.566153887712079e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -9.637628332689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.544118292181177e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.441427 1.7150566 0.9406167 ] [ 0.8409537 1.6275971 3.5801955 ] [ 0.797011 3.2100574 1.799529 ] [ 2.7015519 4.0183952 2.9811131 ] [ 3.1922943 1.6973387 3.2017567 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.441427e-10 1.7150566e-10 9.406167e-11 ] [ 8.409537e-11 1.6275971e-10 3.5801955e-10 ] [ 7.970110000000001e-11 3.2100574e-10 1.799529e-10 ] [ 2.7015519e-10 4.0183952e-10 2.9811131e-10 ] [ 3.1922943e-10 1.6973387e-10 3.2017567e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.29e-05 6.77e-05 3.35e-05 ] [ 4.92e-05 7.64e-05 -8e-06 ] [ 2.26e-05 -8.06e-05 3.72e-05 ] [ -2.23e-05 -3.45e-05 -2.62e-05 ] [ -8.25e-05 -2.9e-05 -3.65e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.271161125859999e-14 1.084673581218e-13 5.367291723899999e-14 ] [ 7.882709039280001e-14 1.224062948376e-13 -1.2817413072e-14 ] [ 3.62091919284e-14 -1.291354367004e-13 5.96009707848e-14 ] [ -3.572853893819999e-14 -5.527509387299999e-14 -4.197702781079999e-14 ] [ -1.32179572305e-13 -4.6463122386e-14 -5.847944714099999e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }