{ "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" [ [ 0.6305471 0.004372 1.304235 ] [ 0.7154426 1.383697 2.938133 ] [ 2.486494 1.164331 0.5043625 ] [ 2.840403 0.4835428 2.252778 ] [ 2.544628 2.936148 1.00011 ] [ 2.473494 2.502288 2.980444 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.305471000000001e-11 4.372e-13 1.304235e-10 ] [ 7.154426000000001e-11 1.383697e-10 2.938133e-10 ] [ 2.486494e-10 1.164331e-10 5.043625000000001e-11 ] [ 2.840403e-10 4.835428e-11 2.252778e-10 ] [ 2.544628e-10 2.936148e-10 1.00011e-10 ] [ 2.473494e-10 2.502288e-10 2.980444e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.6933804 -5.4318202 -3.9157247 ] [ -16.3888042 0.3527228 13.3123768 ] [ 5.1322801 -9.0214815 -24.8157152 ] [ 13.4164907 -16.5792606 9.9842125 ] [ 2.3310516 19.959492 -9.1533133 ] [ 3.2023621 10.7203476 14.588164 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.232615421180095e-08 -8.702735332829179e-09 -6.273682567829093e-09 ] [ -2.625775893210885e-08 5.651242237831142e-10 2.132877887624032e-08 ] [ 8.222819187617085e-09 -1.445400674427971e-08 -3.975915872187119e-08 ] [ 2.149558773272063e-08 -2.656290372347058e-08 1.599647184459912e-08 ] [ 3.734756375398434e-09 3.197863144544464e-08 -1.46652245721177e-08 ] [ 5.130749687955992e-09 1.717589029156939e-08 2.337281530119621e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 9.562462 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.532075305368841e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3052951 0.2690022 1.0675096 ] [ 0.2651773 1.4418761 3.1545552 ] [ 2.5058291 0.7656119 0.2743759 ] [ 3.6762371 0.415426 2.4234905 ] [ 2.4890018 3.1688914 0.8533018 ] [ 2.4494684 2.4135713 3.2068294 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.052951e-11 2.690022e-11 1.0675096e-10 ] [ 2.651773e-11 1.4418761e-10 3.1545552e-10 ] [ 2.5058291e-10 7.656119000000001e-11 2.743759e-11 ] [ 3.6762371e-10 4.15426e-11 2.423490500000001e-10 ] [ 2.4890018e-10 3.1688914e-10 8.533018e-11 ] [ 2.449468400000001e-10 2.4135713e-10 3.2068294e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.99e-05 3.38e-05 2.13e-05 ] [ -3.3e-06 2e-06 -2.95e-05 ] [ 2.88e-05 -1.53e-05 -2.93e-05 ] [ 3.17e-05 -1.08e-05 3e-07 ] [ -3.55e-05 -1.84e-05 -8.7e-06 ] [ -1.7e-06 8.7e-06 4.6e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.188331475392e-14 5.415356978304e-14 3.412636202304e-14 ] [ -5.28718284864e-15 3.2043532416e-15 -4.72642103136e-14 ] [ 4.614268667904e-14 -2.451330229824e-14 -4.694377498944e-14 ] [ 5.078899887936e-14 -1.730350750464e-14 4.8065298624e-16 ] [ -5.68772700384e-14 -2.948004982272e-14 -1.393893660096e-14 ] [ -2.72370025536e-15 1.393893660096e-14 7.37001245568e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.9625962 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.435966209331092e-18 } }