{ "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" [ [ 4.4954927 3.3845905 5.9686044 ] [ 1.8554441 8.0262179 -2.6745463 ] [ 9.7744783 -1.6955675 -4.5489669 ] [ 23.0113658 -76.4870149 -21.6313664 ] [ -3.9067799 -6.6830484 0.0338512 ] [ -34.2339394 79.9864682 17.0436105 ] [ -0.9960616 -6.5316458 5.8088135 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.202573302917068e-09 5.422711770081783e-09 9.56275842848401e-09 ] [ 2.972749158221297e-09 1.285941867282647e-08 -4.285095553107143e-09 ] [ 1.566044061277693e-08 -2.716598607488304e-09 -7.288248415973051e-09 ] [ 3.68682722974367e-08 -1.225457070675613e-07 -3.465726952203866e-08 ] [ -6.259351418391363e-09 -1.070742390215485e-08 5.423560122602496e-11 ] [ -5.484881734456398e-08 1.281524493304027e-07 2.73068742771214e-08 ] [ -1.595866608396641e-09 -1.046485019610651e-08 9.306745184287423e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.496003 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.565562979284667e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.478203 1.6912695 1.0415116 ] [ 2.991115 0.9012454 3.0553377 ] [ 2.443091 3.0223765 2.7998432 ] [ 4.4019462 2.2155971 1.9844309 ] [ 4.1002129 2.4850806 4.1526426 ] [ 4.2727603 4.2539697 2.8169891 ] [ 3.2703017 3.763368 0.8942047 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.478203e-10 1.6912695e-10 1.0415116e-10 ] [ 2.991115e-10 9.012454e-11 3.0553377e-10 ] [ 2.443091e-10 3.0223765e-10 2.7998432e-10 ] [ 4.401946200000001e-10 2.2155971e-10 1.9844309e-10 ] [ 4.1002129e-10 2.4850806e-10 4.1526426e-10 ] [ 4.2727603e-10 4.2539697e-10 2.8169891e-10 ] [ 3.2703017e-10 3.763368e-10 8.942047e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.93e-05 1.38e-05 2.17e-05 ] [ -4.6e-06 -2.38e-05 -1.41e-05 ] [ -1.53e-05 -1.83e-05 -1.23e-05 ] [ 6.9e-06 5.2e-06 4.3e-06 ] [ 1.19e-05 9.8e-06 1.15e-05 ] [ -3e-07 1.36e-05 -7.5e-06 ] [ 2.07e-05 -3e-07 -3.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.092200878144e-14 2.211003736704e-14 3.476723267136e-14 ] [ -7.370012455680001e-15 -3.813180357504e-14 -2.259069035328e-14 ] [ -2.451330229824e-14 -2.931983216064e-14 -1.970677243584e-14 ] [ 1.105501868352e-14 8.33131842816e-15 6.889359469440001e-15 ] [ 1.906590178752e-14 1.570133088384e-14 1.84250311392e-14 ] [ -4.8065298624e-16 2.178960204288e-14 -1.2016324656e-14 ] [ 3.316505605055999e-14 -4.8065298624e-16 -5.76783583488e-15 ] ] } "relaxed-potential-energy" { "source-value" -52.328123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.383889528094676e-18 } }