{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.5633223 0.534565 2.657113 ] [ 0.571871 1.718695 0.3060373 ] [ 0.67165 2.82724 1.843012 ] [ 2.670346 0.5025148 0.7068498 ] [ 2.297338 0.3834159 2.609917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.633223000000001e-11 5.34565e-11 2.657113e-10 ] [ 5.71871e-11 1.718695e-10 3.060373e-11 ] [ 6.7165e-11 2.82724e-10 1.843012e-10 ] [ 2.670346e-10 5.025148000000001e-11 7.068498e-11 ] [ 2.297338e-10 3.834159e-11 2.609917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -21.6991841 1.0310656 5.0775064 ] [ 0.0476179 -6.1500365 -14.7513511 ] [ -0.4690131 8.1755352 10.7686717 ] [ 1.8807167 0.881067 -9.3704575 ] [ 20.2398626 -3.9376313 8.2756305 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.476592574188432e-08 1.65194921244119e-09 8.135062113065456e-09 ] [ 7.629228674014859e-11 -9.853444778547139e-09 -2.363427005235019e-08 ] [ -7.514418298599054e-10 1.309865146788452e-08 1.725331417695706e-08 ] [ 3.013240351913588e-09 1.411624960388478e-09 -1.501312805639006e-08 ] [ 3.242783493309048e-08 -6.308780862167044e-09 1.325902181871774e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.6342336 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.618330888417702e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6689975 1.1165887 3.4764034 ] [ 1.1238367 2.0710302 -0.1309073 ] [ -0.1287809 2.4894251 1.7804496 ] [ 2.6957885 0.4396311 0.38377 ] [ 2.4146855 -0.1502444 2.6132134 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.689975000000001e-11 1.1165887e-10 3.4764034e-10 ] [ 1.1238367e-10 2.0710302e-10 -1.309073e-11 ] [ -1.287809e-11 2.4894251e-10 1.7804496e-10 ] [ 2.6957885e-10 4.396311e-11 3.8377e-11 ] [ 2.4146855e-10 -1.502444e-11 2.6132134e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.2e-06 5.8e-06 8.6e-06 ] [ -0.0 9e-06 -1.2e-06 ] [ -3.1e-06 -8.1e-06 -4.7e-06 ] [ 3.2e-06 -3.9e-06 -2e-07 ] [ -3.3e-06 -2.8e-06 -2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.1269652288e-15 9.2926244772e-15 1.37787190524e-14 ] [ 0.0 1.4419589706e-14 -1.9226119608e-15 ] [ -4.9667475654e-15 -1.29776307354e-14 -7.530230179799999e-15 ] [ 5.1269652288e-15 -6.248488872599999e-15 -3.204353268e-16 ] [ -5.2871828922e-15 -4.486094575199999e-15 -4.005441585e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.43342 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992053500470828e-18 } }