{ "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" [ [ -2.9852102 -6.4571157 -6.288348 ] [ -11.7500571 -0.1382022 5.5906506 ] [ -2.0308701 10.3764986 -3.5097906 ] [ 8.2474069 1.705491 -4.7687843 ] [ 2.852534 5.41279 7.5323967 ] [ -2.1261047 -4.731449 5.011712 ] [ 7.7923012 -6.1680127 -3.5678364 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.782833990613693e-09 -1.034543981234063e-08 -1.007504414905444e-08 ] [ -1.882566677868505e-08 -2.214243337831258e-10 8.957209686381491e-09 ] [ -3.253812594101758e-09 1.662498346268393e-08 -5.623304443223604e-09 ] [ 1.32138025174046e-08 2.732497807184813e-09 -7.640434715098093e-09 ] [ 4.570263284837107e-09 8.672245591300032e-09 1.206822989133107e-08 ] [ -3.406395243712998e-09 -7.580616970307538e-09 8.02964779658281e-09 ] [ 1.248464280487179e-08 -9.882245744737484e-09 -5.716304066919237e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.42595273 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.824515055719348e-20 } "relaxed-configuration-positions" { "source-value" [ [ 2.5242395 0.2990261 1.5165044 ] [ 1.690708 1.8313484 3.210609 ] [ 2.8949224 3.6960545 2.2985186 ] [ 5.1399862 2.9051462 2.6040049 ] [ 4.9285117 2.8503739 5.0257908 ] [ 3.4136535 0.9678623 4.7671074 ] [ 4.7116627 0.4655533 2.5619749 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5242395e-10 2.990261e-11 1.5165044e-10 ] [ 1.690708e-10 1.8313484e-10 3.210609e-10 ] [ 2.8949224e-10 3.6960545e-10 2.2985186e-10 ] [ 5.1399862e-10 2.9051462e-10 2.6040049e-10 ] [ 4.928511699999999e-10 2.8503739e-10 5.025790800000001e-10 ] [ 3.4136535e-10 9.678623e-11 4.767107400000001e-10 ] [ 4.7116627e-10 4.655533e-11 2.5619749e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.5e-06 -1.8e-06 4.6e-06 ] [ 1.53e-05 -1.12e-05 -1.09e-05 ] [ -7e-07 -2.9e-06 -2.7e-06 ] [ -7.4e-06 -1.35e-05 2.33e-05 ] [ 3e-06 7.7e-06 1.09e-05 ] [ 2.19e-05 1.47e-05 -2.47e-05 ] [ -2.57e-05 7e-06 -5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.04141480352e-14 -2.88391791744e-15 7.370012455680001e-15 ] [ 2.451330229824e-14 -1.794437815296e-14 -1.746372516672e-14 ] [ -1.12152363456e-15 -4.646312200320001e-15 -4.32587687616e-15 ] [ -1.185610699392e-14 -2.16293843808e-14 3.733071526464e-14 ] [ 4.8065298624e-15 1.233675998016e-14 1.746372516672e-14 ] [ 3.508766799552e-14 2.355199632576e-14 -3.957376253376001e-14 ] [ -4.117593915456e-14 1.12152363456e-14 -8.010883104e-16 ] ] } "relaxed-potential-energy" { "source-value" -11.129296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.783109785716296e-18 } }