{ "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" [ [ 0.5834212 0.4864796 1.920549 ] [ 1.105833 1.594471 0.5913636 ] [ 0.1509893 2.698828 2.704799 ] [ 2.461816 0.3168887 1.8618 ] [ 2.990224 2.253685 0.1987983 ] [ 2.155559 1.839196 2.850141 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.834212e-11 4.864796e-11 1.920549e-10 ] [ 1.105833e-10 1.594471e-10 5.913636000000001e-11 ] [ 1.509893e-11 2.698828e-10 2.704799e-10 ] [ 2.461816e-10 3.168887e-11 1.8618e-10 ] [ 2.990224e-10 2.253685e-10 1.987983e-11 ] [ 2.155559e-10 1.839196e-10 2.850141e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -31.6181465 -27.2479417 4.138751 ] [ -7.1176787 17.2892396 -21.6037212 ] [ -3.4071432 8.4996767 2.9289683 ] [ 26.8837986 -23.17487 -0.5316316 ] [ 3.9882436 2.1064209 -1.5782332 ] [ 11.2709263 22.5274745 16.6458666 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.065785511532935e-08 -4.36560151566614e-08 6.631010091512621e-09 ] [ -1.140377840750614e-08 2.770041547852954e-08 -3.461297702892132e-08 ] [ -5.458845178757699e-09 1.36179832930985e-08 4.692724533324321e-09 ] [ 4.307259359521577e-08 -3.713023490407929e-08 -8.517677203984972e-10 ] [ 6.389870653975228e-09 3.374858319544494e-09 -2.52860833521037e-09 ] [ 1.805801461261984e-08 3.609299296956817e-08 2.666961829947559e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 4.3129637 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.910129606499065e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6653307 -0.2585784 1.3173835 ] [ 0.9476242 1.63784 0.2202135 ] [ 0.481976 3.3145421 3.0102346 ] [ 2.3788607 -0.2264642 2.7170521 ] [ 2.7669896 2.7841612 -0.2346571 ] [ 2.2070614 1.9380475 3.0972243 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.653307e-11 -2.585784e-11 1.3173835e-10 ] [ 9.476242e-11 1.63784e-10 2.202135e-11 ] [ 4.81976e-11 3.3145421e-10 3.0102346e-10 ] [ 2.3788607e-10 -2.264642e-11 2.7170521e-10 ] [ 2.7669896e-10 2.7841612e-10 -2.346571e-11 ] [ 2.2070614e-10 1.9380475e-10 3.0972243e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.1604151 0.2020803 -0.3761327 ] [ -0.2683338 -0.59154 0.0078441 ] [ 1.0632965 -0.5404676 0.1126823 ] [ -0.1084998 -0.4097545 0.1258322 ] [ 0.0401734 0.2950997 -0.1712038 ] [ -0.8870513 1.0445821 0.300978 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.570133228432941e-10 3.237683321842502e-10 -6.026310182583802e-10 ] [ -4.299181409304231e-10 -9.47751558268032e-10 1.256763363121728e-11 ] [ 1.703588793278467e-09 -8.659245530198862e-10 1.805369466379718e-10 ] [ -1.738358429214758e-10 -6.564990801675936e-10 2.016054089838298e-10 ] [ 6.436488225804672e-11 4.728018401450938e-10 -2.742987257521191e-10 ] [ -1.421212854310247e-09 1.673605019126168e-09 4.822199149751424e-10 ] ] } "relaxed-potential-energy" { "source-value" -12.246516 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.962108162145313e-18 } }