{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.3890178 0.3060136 0.2686133 ] [ 1.00003 0.111897 2.250713 ] [ 0.4846776 2.300953 2.298336 ] [ 2.957925 0.3909324 0.2522672 ] [ 2.37443 2.221414 1.416157 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.890178e-11 3.060136e-11 2.686133e-11 ] [ 1.00003e-10 1.11897e-11 2.250713e-10 ] [ 4.846776e-11 2.300953e-10 2.298336e-10 ] [ 2.957925e-10 3.909324e-11 2.522672e-11 ] [ 2.37443e-10 2.221414e-10 1.416157e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7283653 -2.2920578 -9.2925932 ] [ 1.8635487 -4.0433481 7.7969848 ] [ -6.7614266 5.4600694 4.6983536 ] [ 1.1713036 -2.0168131 -2.5649401 ] [ 6.4549396 2.8921495 -0.6378051 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.371323096661978e-09 -3.672281420682282e-09 -1.488837557164506e-08 ] [ 2.985734158862233e-09 -6.478157795576101e-09 1.249214675929296e-08 ] [ -1.083299962177523e-08 8.747995540625484e-09 7.527592294171515e-09 ] [ 1.876635243778875e-09 -3.231290797343172e-09 -4.109487061972414e-09 ] [ 1.03419533157961e-08 4.63373431275841e-09 -1.021876419847006e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.5078959 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.042679866158018e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9724463 -0.6039341 0.3505422 ] [ -0.1191954 0.2654485 2.2078689 ] [ 0.9455745 2.241521 2.8066771 ] [ 2.7119337 0.8347881 -0.1984842 ] [ 2.6953213 2.5933864 1.3194825 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.724463e-11 -6.039341e-11 3.505422e-11 ] [ -1.191954e-11 2.654485e-11 2.2078689e-10 ] [ 9.455745e-11 2.241521e-10 2.8066771e-10 ] [ 2.7119337e-10 8.347881e-11 -1.984842e-11 ] [ 2.6953213e-10 2.5933864e-10 1.3194825e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.11e-05 -2.38e-05 1.08e-05 ] [ -1.95e-05 1.04e-05 -1.51e-05 ] [ 8.4e-06 6.2e-06 2.56e-05 ] [ 3.6e-06 2.2e-06 -2.64e-05 ] [ -3.5e-06 4.9e-06 5.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.778416049088e-14 -3.813180357504e-14 1.730350750464e-14 ] [ -3.12424441056e-14 1.666263685632e-14 -2.419286697408e-14 ] [ 1.345828361472e-14 9.93349504896e-15 4.101572149248001e-14 ] [ 5.76783583488e-15 3.52478856576e-15 -4.229746278912e-14 ] [ -5.6076181728e-15 7.850665441919999e-15 8.33131842816e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.435336 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992360461099259e-18 } }