{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2233924 -4.2338926 -6.9421552 ] [ -5.5396173 -14.9851112 -2.0288361 ] [ -36.5738984 6.512039 15.7876366 ] [ 35.0938683 -20.9374836 -14.7756832 ] [ 6.4952532 -2.2261311 28.1223546 ] [ 9.4457504 28.6411168 0.8831119 ] [ -6.6979639 7.2294626 -21.0464286 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.562267322144402e-09 -6.783443738698126e-09 -1.112255875940515e-08 ] [ -8.87544532623922e-09 -2.400879482472823e-08 -3.250553766855051e-09 ] [ -5.859784494799452e-08 1.043343663953781e-08 2.529458225820641e-08 ] [ 5.622657532369423e-08 -3.354554672230342e-08 -2.367325417938733e-08 ] [ 1.040654282321639e-08 -3.566655203255787e-09 4.505697906196734e-08 ] [ 1.513376045679225e-08 4.588812773056211e-08 1.414901239730267e-09 ] [ -1.073132116754239e-08 1.158287595866798e-08 -3.372009585425647e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 18.021524 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.88736644239861e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0126905 2.1148803 0.5773228 ] [ 2.9683511 0.8420524 2.3266766 ] [ 2.2489616 1.9171451 4.3066505 ] [ 5.2279537 1.5289926 2.219927 ] [ 3.4747611 3.9427049 4.3364395 ] [ 4.7865169 3.8466294 2.370813 ] [ 3.2383951 4.1405023 0.6071303 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0126905e-10 2.1148803e-10 5.773228e-11 ] [ 2.9683511e-10 8.420524e-11 2.3266766e-10 ] [ 2.2489616e-10 1.9171451e-10 4.3066505e-10 ] [ 5.227953699999999e-10 1.5289926e-10 2.219927e-10 ] [ 3.4747611e-10 3.9427049e-10 4.3364395e-10 ] [ 4.7865169e-10 3.8466294e-10 2.370813e-10 ] [ 3.2383951e-10 4.1405023e-10 6.071303000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.8e-06 4.31e-05 4.36e-05 ] [ 1.49e-05 -9e-07 1.06e-05 ] [ 1.75e-05 -3.27e-05 -3.51e-05 ] [ -2.05e-05 -9.3e-06 3e-07 ] [ -1.1e-05 2.59e-05 -2.56e-05 ] [ 4.3e-06 -4.6e-06 3.31e-05 ] [ -8.2e-06 -2.15e-05 -2.68e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.48609453824e-15 6.905381235648e-14 6.985490066688e-14 ] [ 2.387243164992e-14 -1.44195895872e-15 1.698307218048e-14 ] [ 2.8038090864e-14 -5.239117550016001e-14 -5.623639939008e-14 ] [ -3.28446207264e-14 -1.490024257344e-14 4.8065298624e-16 ] [ -1.76239428288e-14 4.149637447872e-14 -4.101572149248001e-14 ] [ 6.889359469440001e-15 -7.370012455680001e-15 5.303204614848e-14 ] [ -1.313784829056e-14 -3.44467973472e-14 -4.293833343744e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }