{ "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" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3511702 -2.4468358 1.5209484 ] [ 0.8769282 1.4158597 -0.5188495 ] [ 6.2843691 2.2546867 1.0578447 ] [ 1.1729688 -2.1627691 -1.8161492 ] [ 0.2196315 0.4055696 -0.3198248 ] [ -1.0542027 1.5192993 -0.4912642 ] [ -6.1485247 -0.9858105 0.5672946 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.16481330516166e-09 -3.920263113696465e-09 2.436827967923167e-09 ] [ 1.404993860160227e-09 2.268457309672902e-09 -8.312885386137696e-10 ] [ 1.006866924849794e-08 3.612406317968704e-09 1.69485404677719e-09 ] [ 1.879303188287831e-09 -3.465138088208658e-09 -2.909791788124623e-09 ] [ 3.518884544912352e-10 6.497941312272077e-10 -5.124158173120358e-10 ] [ -1.689018919524236e-09 2.434185818457806e-09 -7.870920158760154e-10 ] [ -9.851022526751336e-09 -1.579442535639158e-09 9.089061452260877e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -27.630134 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.426835472437119e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.395717 2.3449101 2.5946932 ] [ 2.3003864 1.4210767 4.5472558 ] [ 2.6187243 4.2500576 2.1543624 ] [ 2.0815257 3.77151 4.3838776 ] [ 3.6163819 1.5358338 2.5798801 ] [ 4.2169397 2.7714816 4.5422964 ] [ 4.8053929 3.5545661 2.4247555 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.395717e-10 2.3449101e-10 2.5946932e-10 ] [ 2.3003864e-10 1.4210767e-10 4.5472558e-10 ] [ 2.6187243e-10 4.2500576e-10 2.1543624e-10 ] [ 2.0815257e-10 3.77151e-10 4.3838776e-10 ] [ 3.6163819e-10 1.5358338e-10 2.5798801e-10 ] [ 4.2169397e-10 2.7714816e-10 4.5422964e-10 ] [ 4.8053929e-10 3.5545661e-10 2.4247555e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.46e-05 -1.2e-06 1.68e-05 ] [ 1.97e-05 1.43e-05 -3.12e-05 ] [ 2.02e-05 6.5e-06 7.6e-06 ] [ 2.2e-05 -3.48e-05 -9.3e-06 ] [ -4.87e-05 -2.16e-05 2.1e-05 ] [ -3.61e-05 2.18e-05 5.1e-06 ] [ -1.17e-05 1.49e-05 -1.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.543531107968001e-14 -1.92261194496e-15 2.691656722944e-14 ] [ 3.156287942976e-14 2.291112567744e-14 -4.998791056896e-14 ] [ 3.236396774016e-14 1.04141480352e-14 1.217654231808e-14 ] [ 3.52478856576e-14 -5.575574640383999e-14 -1.490024257344e-14 ] [ -7.802600143296e-14 -3.460701500928e-14 3.36457090368e-14 ] [ -5.783857601088001e-14 3.492745033344e-14 8.17110076608e-15 ] [ -1.874546646336e-14 2.387243164992e-14 -1.618198387008e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.337723 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.860639051890644e-18 } }