{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4075179 -8.631034 -12.6154932 ] [ -13.9378552 -27.0667495 10.3174891 ] [ 0.5676489 7.1620112 -2.2958601 ] [ -9.1733445 6.3723046 1.2460351 ] [ 3.9859976 -3.6587764 1.5946614 ] [ -1.7021374 3.4467941 -1.2814517 ] [ 24.6672085 22.37545 3.0346195 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.061622135137513e-09 -1.382844088812991e-08 -2.021224826490138e-08 ] [ -2.233090574553571e-08 -4.336571324995009e-08 1.653043982137883e-08 ] [ 9.094737964028371e-10 1.147480690254775e-08 -3.67837337684755e-09 ] [ -1.469731809244427e-08 1.02095574507363e-08 1.99636830591619e-09 ] [ 6.386272165284911e-09 -5.862006008814789e-09 2.554929213172197e-09 ] [ -2.727124747669298e-09 5.522372923731378e-09 -2.053111954424416e-09 ] [ 3.952122475909904e-08 3.584942286987937e-08 4.861996415923786e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.4851898 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.186066237410628e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0090113 1.3943052 2.5917965 ] [ 2.5888169 1.7175812 5.1099966 ] [ 3.2627338 4.7367564 3.4640454 ] [ 1.2178501 3.4580952 3.9690619 ] [ 4.6023918 1.6289939 2.5553078 ] [ 3.2314204 3.369495 1.4143634 ] [ 4.6329316 2.9972301 4.604348 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0090113e-10 1.3943052e-10 2.5917965e-10 ] [ 2.5888169e-10 1.7175812e-10 5.1099966e-10 ] [ 3.2627338e-10 4.7367564e-10 3.4640454e-10 ] [ 1.2178501e-10 3.4580952e-10 3.9690619e-10 ] [ 4.602391800000001e-10 1.6289939e-10 2.5553078e-10 ] [ 3.2314204e-10 3.369495e-10 1.4143634e-10 ] [ 4.6329316e-10 2.9972301e-10 4.604348e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.5e-06 -6.1e-06 5.5e-06 ] [ 1.26e-05 1.8e-05 -5.8e-06 ] [ 1.04e-05 6.92e-05 -1.63e-05 ] [ -5e-07 -3.51e-05 -6.4e-06 ] [ 9e-07 -3.52e-05 -1.64e-05 ] [ -6.1e-06 1.15e-05 2.88e-05 ] [ -2.28e-05 -2.22e-05 1.04e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.8119714144e-15 -9.77327738688e-15 8.8119714144e-15 ] [ 2.018742542208e-14 2.88391791744e-14 -9.292624400640001e-15 ] [ 1.666263685632e-14 1.1087062215936e-13 -2.611547891904e-14 ] [ -8.010883104e-16 -5.623639939008e-14 -1.025393037312e-14 ] [ 1.44195895872e-15 -5.639661705216e-14 -2.627569658112e-14 ] [ -9.77327738688e-15 1.84250311392e-14 4.614268667904e-14 ] [ -3.652962695424e-14 -3.556832098176e-14 1.666263685632e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.757316 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.485906302655777e-18 } }