{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.1257252 -13.5774373 -14.2235331 ] [ -25.5005803 2.3077798 10.3977272 ] [ -5.0194693 20.6707686 -7.1355302 ] [ 17.5406195 4.2473523 -11.321706 ] [ 6.0867094 11.2191189 17.8929958 ] [ -3.1094666 -10.5198845 9.936582 ] [ 17.1279125 -14.3476977 -5.5465356 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.14166703216854e-08 -2.175345261243787e-08 -2.278861219799495e-08 ] [ -4.085643357349305e-08 3.6974708415145e-09 1.665899542929625e-08 ] [ -8.042076361283341e-09 3.311822218488675e-08 -1.143237966345235e-08 ] [ 2.810317047724858e-08 6.805008555361109e-09 -1.813937266077109e-08 ] [ 9.751983498283597e-09 1.797501000755541e-08 2.86677395468326e-08 ] [ -4.981914689678466e-09 -1.68547129994163e-08 1.592015937106211e-08 ] [ 2.744194097060808e-08 -2.298754581724593e-08 -8.8865296647549e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 8.8795963 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.422668159400218e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3539799 0.5346146 2.0763373 ] [ 1.9270946 2.5788878 3.1843938 ] [ 3.5216746 3.9997795 2.1685204 ] [ 5.3689239 2.5795154 1.7479286 ] [ 2.8088025 2.1353051 5.3336829 ] [ 4.6560662 0.7150597 4.9131021 ] [ 4.6671424 0.4722024 2.5605449 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3539799e-10 5.346146e-11 2.0763373e-10 ] [ 1.9270946e-10 2.5788878e-10 3.1843938e-10 ] [ 3.5216746e-10 3.9997795e-10 2.1685204e-10 ] [ 5.368923900000001e-10 2.5795154e-10 1.7479286e-10 ] [ 2.8088025e-10 2.1353051e-10 5.3336829e-10 ] [ 4.6560662e-10 7.150597e-11 4.9131021e-10 ] [ 4.6671424e-10 4.722024e-11 2.5605449e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.4e-06 -8e-06 -1.9e-06 ] [ -5e-07 -4.1e-06 3.2e-06 ] [ 1.2e-05 1.7e-06 -8.4e-06 ] [ -6.3e-06 2.06e-05 -0.0 ] [ 6e-07 6.9e-06 -6.7e-06 ] [ 5.3e-06 -1.69e-05 -1e-05 ] [ -3.6e-06 -2e-07 2.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.185610699392e-14 -1.28174129664e-14 -3.04413557952e-15 ] [ -8.010883104e-16 -6.568924145279999e-15 5.126965186560001e-15 ] [ 1.92261194496e-14 2.72370025536e-15 -1.345828361472e-14 ] [ -1.009371271104e-14 3.300483838848e-14 0.0 ] [ 9.6130597248e-16 1.105501868352e-14 -1.073458335936e-14 ] [ 8.491536090240001e-15 -2.707678489152e-14 -1.6021766208e-14 ] [ -5.76783583488e-15 -3.2043532416e-16 3.829202123712e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }