{ "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" [ [ 0.8494568 1.09498 0.2360667 ] [ 0.557157 2.835915 1.114432 ] [ 0.135541 1.869398 2.917972 ] [ 1.620291 0.3348641 1.837353 ] [ 2.814436 1.836887 0.4161362 ] [ 2.451507 2.913738 2.050042 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.494568e-11 1.09498e-10 2.360667e-11 ] [ 5.57157e-11 2.835915e-10 1.114432e-10 ] [ 1.35541e-11 1.869398e-10 2.917972e-10 ] [ 1.620291e-10 3.348641e-11 1.837353e-10 ] [ 2.814436e-10 1.836887e-10 4.161362e-11 ] [ 2.451507e-10 2.913738e-10 2.050042e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4790068 -6.1320137 -10.3596756 ] [ -6.1471479 9.6446906 -1.3037484 ] [ -3.4812032 -0.4373264 5.6113352 ] [ 2.0643296 -9.986769 4.6917379 ] [ 5.9757195 -1.0078991 -4.1856391 ] [ 6.0673089 7.9193176 5.54599 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.176159979364221e-09 -9.824568988565304e-09 -1.659803004539221e-08 ] [ -9.848816649979816e-09 1.545249779416953e-08 -2.088835205885407e-09 ] [ -5.577502379294146e-09 -7.006741337386291e-10 8.990350068912093e-09 ] [ 3.307420622745416e-09 -1.600056780913019e-08 7.516992774301288e-09 ] [ 9.574158075358668e-09 -1.614832374145361e-09 -6.706133109126354e-09 ] [ 9.720900470751765e-09 1.268814551140997e-08 8.885655517190592e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.2939061 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.481772586130508e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.1356846 1.0529928 0.0757813 ] [ 0.3737062 3.0055531 1.4153696 ] [ 0.0622874 1.5615984 3.3112714 ] [ 0.8138464 -0.3642194 1.9900306 ] [ 3.3972014 1.8520216 0.2291469 ] [ 2.6456628 3.7778357 1.5504021 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1356846e-10 1.0529928e-10 7.57813e-12 ] [ 3.737062e-11 3.0055531e-10 1.4153696e-10 ] [ 6.22874e-12 1.5615984e-10 3.3112714e-10 ] [ 8.138464e-11 -3.642194e-11 1.9900306e-10 ] [ 3.3972014e-10 1.8520216e-10 2.291469e-11 ] [ 2.6456628e-10 3.7778357e-10 1.5504021e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.6e-06 2.26e-05 -9e-07 ] [ 2.11e-05 -1.98e-05 -2.4e-06 ] [ 2.02e-05 -1.6e-06 -1.11e-05 ] [ -8.5e-06 2.16e-05 7e-06 ] [ -1.03e-05 4.3e-06 1.55e-05 ] [ -2.8e-05 -2.7e-05 -8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.972189076479999e-15 3.620919163008e-14 -1.44195895872e-15 ] [ 3.380592669888e-14 -3.172309709184e-14 -3.84522388992e-15 ] [ 3.236396774016e-14 -2.56348259328e-15 -1.778416049088e-14 ] [ -1.36185012768e-14 3.460701500928e-14 1.12152363456e-14 ] [ -1.650241919424e-14 6.889359469440001e-15 2.48337376224e-14 ] [ -4.48609453824e-14 -4.32587687616e-14 -1.28174129664e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.235572 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.76144305045151e-18 } }