{ "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" [ [ 4.1178716 -4.5242857 6.335391 ] [ 0.0216329 5.0193301 -6.2231744 ] [ 0.1368324 1.3458628 -0.5074384 ] [ 0.068795 -1.3238053 0.0571068 ] [ -0.3975337 3.4767486 5.0719613 ] [ -3.9475981 -3.9938505 -4.7338463 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.59755760497629e-09 -7.248704774359763e-09 1.015041534382673e-08 ] [ 3.465972662010432e-11 8.041853338297728e-09 -9.970624530841068e-09 ] [ 2.192296722479539e-10 2.156309912964426e-09 -8.130059409761586e-10 ] [ 1.10221740627936e-10 -2.12096990215113e-09 9.149517984870144e-11 ] [ -6.36919200120121e-10 5.570365323319131e-09 8.126177816462375e-09 ] [ -6.3247493841345e-09 -6.398853898070392e-09 -7.584457868320583e-09 ] [ 0.0 0.0 0.0 ] ] } "unrelaxed-potential-energy" { "source-value" -7.0979375 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.13721495183996e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9617095 2.1891453 1.5068937 ] [ 2.0047287 1.9076502 5.093481 ] [ 1.0648239 4.1345439 1.0099825 ] [ 1.2876081 3.8271901 5.8925287 ] [ 3.1352454 1.4871299 3.2413029 ] [ 5.2525015 2.092593 3.2763481 ] [ 6.3284509 4.0111836 3.2065841 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9617095e-10 2.1891453e-10 1.5068937e-10 ] [ 2.0047287e-10 1.9076502e-10 5.093481e-10 ] [ 1.0648239e-10 4.1345439e-10 1.0099825e-10 ] [ 1.2876081e-10 3.8271901e-10 5.8925287e-10 ] [ 3.1352454e-10 1.4871299e-10 3.2413029e-10 ] [ 5.252501500000001e-10 2.092593e-10 3.2763481e-10 ] [ 6.3284509e-10 4.0111836e-10 3.2065841e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0670218 -0.1363112 0.0738737 ] [ 0.1613177 -0.126054 -0.228154 ] [ -0.1642281 0.0807608 -0.2529999 ] [ -0.1806935 0.057633 0.298217 ] [ -0.6022438 0.0624001 0.144157 ] [ 0.5162723 0.1340899 -0.0455377 ] [ 0.2025535 -0.0725187 0.0104439 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.073807610439335e-10 -2.18394617793193e-10 1.183587150319929e-10 ] [ 2.584594474612282e-10 -2.019607717583232e-10 -3.655430047420032e-10 ] [ -2.631224222984045e-10 1.293930656371046e-10 -4.05350524844738e-10 ] [ -2.895029012305248e-10 9.23382451865664e-11 4.777963053251136e-10 ] [ -9.64900936381751e-10 9.997598135558208e-11 2.309649751246656e-10 ] [ 8.271594090266439e-10 2.148357028654099e-10 -7.295943830500416e-11 ] [ 3.245264821612128e-10 -1.16187765710809e-10 1.673297240997312e-11 ] ] } "relaxed-potential-energy" { "source-value" -15.120991 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.422649826352722e-18 } }