{ "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" [ [ 0.349925 1.341612 0.6560134 ] [ 0.6162161 0.8811692 2.732129 ] [ 2.287058 0.0970069 0.7690432 ] [ 2.096073 0.9342159 2.106012 ] [ 2.754629 2.399765 1.157711 ] [ 1.653705 1.889806 0.0543731 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.49925e-11 1.341612e-10 6.560134e-11 ] [ 6.162161e-11 8.811692000000001e-11 2.732129e-10 ] [ 2.287058e-10 9.70069e-12 7.690432000000001e-11 ] [ 2.096073e-10 9.342159e-11 2.106012e-10 ] [ 2.754629e-10 2.399765e-10 1.157711e-10 ] [ 1.653705e-10 1.889806e-10 5.43731e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -29.5079049 -7.5943575 4.2171545 ] [ -22.1094107 -3.2151293 16.5935465 ] [ 6.7998395 -18.9846616 -17.2559583 ] [ 15.7813322 2.7490127 18.4265039 ] [ 18.7440165 16.6539701 5.861577 ] [ 10.2921273 10.3911656 -27.8428237 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.727687535956976e-08 -1.216750203649714e-08 6.756626346201514e-09 ] [ -3.542318092320537e-08 -5.15120499730907e-09 2.658579225845767e-08 ] [ 1.089454387209236e-08 -3.041678096931952e-08 -2.764709295775971e-08 ] [ 2.528448149591823e-08 4.404403878222285e-09 2.952251375166002e-08 ] [ 3.003122501618944e-08 2.668260153772224e-08 9.391281630419001e-09 ] [ 1.648980573835743e-08 1.66484825871812e-08 -4.460912118919615e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 17.040908 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.730254439480369e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.4301074 1.6000853 0.6809824 ] [ 0.2443041 0.8945053 2.8657217 ] [ 2.7052416 -0.3137953 0.4054255 ] [ 2.5978871 0.7727553 2.6000179 ] [ 2.9742074 2.8423923 1.3417117 ] [ 1.6660733 1.7476322 -0.4185774 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.301074e-11 1.6000853e-10 6.809824000000001e-11 ] [ 2.443041e-11 8.945053e-11 2.8657217e-10 ] [ 2.7052416e-10 -3.137953e-11 4.054255e-11 ] [ 2.5978871e-10 7.727553000000001e-11 2.6000179e-10 ] [ 2.9742074e-10 2.8423923e-10 1.3417117e-10 ] [ 1.6660733e-10 1.7476322e-10 -4.185774e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.9e-06 -4.3e-06 -3e-07 ] [ -8.9e-06 -4.9e-06 1.65e-05 ] [ 1.81e-05 -1.32e-05 -6e-07 ] [ -2.09e-05 1.7e-06 -5.2e-06 ] [ 2.91e-05 1.39e-05 4.9e-06 ] [ -2.12e-05 6.9e-06 -1.53e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.24848882112e-15 -6.889359469440001e-15 -4.8065298624e-16 ] [ -1.425937192512e-14 -7.850665441919999e-15 2.64359142432e-14 ] [ 2.899939683648e-14 -2.114873139456e-14 -9.6130597248e-16 ] [ -3.348549137472e-14 2.72370025536e-15 -8.33131842816e-15 ] [ 4.662333966527999e-14 2.227025502912e-14 7.850665441919999e-15 ] [ -3.396614436096001e-14 1.105501868352e-14 -2.451330229824e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.186062 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.753510674001929e-18 } }