{ "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" [ [ 1.797173 1.880519 2.621604 ] [ 2.732492 2.231734 4.550403 ] [ 1.229923 3.945183 3.396256 ] [ 3.798537 2.960677 2.455754 ] [ 3.373455 4.934702 3.584472 ] [ 4.913806 3.358248 4.34106 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.797173e-10 1.880519e-10 2.621604e-10 ] [ 2.732492e-10 2.231734e-10 4.550403000000001e-10 ] [ 1.229923e-10 3.945183e-10 3.396256e-10 ] [ 3.798537e-10 2.960677e-10 2.455754e-10 ] [ 3.373455e-10 4.934702e-10 3.584472e-10 ] [ 4.913806e-10 3.358248e-10 4.34106e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.2137531 -4.7214376 -5.7435473 ] [ 0.4211323 -4.3120666 8.0204106 ] [ -6.9752536 4.4770135 2.7011358 ] [ 6.6924585 -3.2805015 -8.5787519 ] [ -0.10291 8.0834916 -0.8841211 ] [ 4.1783259 -0.2464994 4.484874 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.751176702643525e-09 -7.56457693928606e-09 -9.202177204518964e-09 ] [ 6.747283253237318e-10 -6.908692293852545e-09 1.28501143525365e-08 ] [ -1.117558824207104e-08 7.17296636070598e-09 4.327696628365904e-09 ] [ 1.072250054437424e-08 -5.255942807799331e-09 -1.374467572982358e-08 ] [ -1.64879996046528e-10 1.295118125595319e-08 -1.416518156375979e-09 ] [ 6.694416071063118e-09 -3.949355757212275e-10 7.185560270033779e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.045564 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.609476778355013e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.987605 1.9152341 2.5094206 ] [ 2.5315744 2.1159371 4.9832219 ] [ 1.2506774 3.9700706 3.8096052 ] [ 4.089501 3.0180867 1.9577787 ] [ 3.3525659 5.0729288 3.2579436 ] [ 4.6334622 3.2188057 4.4315788 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.987605e-10 1.9152341e-10 2.5094206e-10 ] [ 2.5315744e-10 2.1159371e-10 4.9832219e-10 ] [ 1.2506774e-10 3.9700706e-10 3.8096052e-10 ] [ 4.089501000000001e-10 3.0180867e-10 1.9577787e-10 ] [ 3.3525659e-10 5.0729288e-10 3.2579436e-10 ] [ 4.6334622e-10 3.2188057e-10 4.4315788e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.6e-06 3.7e-06 1e-05 ] [ -7e-06 7.5e-06 1.07e-05 ] [ 6.2e-06 -1.41e-05 -1.14e-05 ] [ -2.2e-06 6.5e-06 -2.36e-05 ] [ 3.5e-06 1.1e-06 9.2e-06 ] [ -2e-06 -4.7e-06 5.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.56348259328e-15 5.928053496960001e-15 1.6021766208e-14 ] [ -1.12152363456e-14 1.2016324656e-14 1.714328984256e-14 ] [ 9.93349504896e-15 -2.259069035328e-14 -1.826481347712e-14 ] [ -3.52478856576e-15 1.04141480352e-14 -3.781136825088e-14 ] [ 5.6076181728e-15 1.76239428288e-15 1.474002491136e-14 ] [ -3.2043532416e-15 -7.53023011776e-15 8.33131842816e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.325443 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.295188985720302e-18 } }