{ "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" [ [ 2.912622 1.78272 1.2568 ] [ 2.727936 0.232034 3.207427 ] [ 3.003232 2.746828 4.7469 ] [ 4.479923 1.355966 2.983258 ] [ 4.230826 3.711883 2.275883 ] [ 5.441026 3.401037 4.285306 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.912622e-10 1.78272e-10 1.2568e-10 ] [ 2.727936e-10 2.32034e-11 3.207427e-10 ] [ 3.003232e-10 2.746828e-10 4.7469e-10 ] [ 4.479923e-10 1.355966e-10 2.983258e-10 ] [ 4.230826000000001e-10 3.711883e-10 2.275883e-10 ] [ 5.441026e-10 3.401037e-10 4.285306000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.617509 0.8360634 -1.1694317 ] [ -2.4272371 -0.8090935 1.1434919 ] [ 1.1963112 -0.7103956 -1.1108099 ] [ 3.3198684 0.2876174 1.1017076 ] [ -0.6469184 0.5110351 -0.4234356 ] [ -0.8245151 -0.1152268 0.4584777 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.893584829335872e-10 1.339521232986559e-09 -1.873636129362399e-09 ] [ -3.888862534758393e-09 -1.296310689741245e-09 1.832075988254171e-09 ] [ 1.916701835841193e-09 -1.138179221839189e-09 -1.779713651933186e-09 ] [ 5.319015534612703e-09 4.60813874015282e-10 1.765130159677678e-09 ] [ -1.036477536045343e-09 8.1876848962819e-10 -6.784186187344206e-10 ] [ -1.321018816716574e-09 -1.846136850495975e-10 7.345622520981561e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -9.1022645 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.45834353782378e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.403778 1.8578654 1.3892048 ] [ 2.6917915 0.8117003 3.4799593 ] [ 2.8484414 2.8263266 4.5412882 ] [ 5.0672271 0.9237334 2.9166169 ] [ 3.5604394 3.8724838 2.4505494 ] [ 5.2238877 2.9383586 3.9779554 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.403778e-10 1.8578654e-10 1.3892048e-10 ] [ 2.6917915e-10 8.117003000000001e-11 3.4799593e-10 ] [ 2.8484414e-10 2.8263266e-10 4.5412882e-10 ] [ 5.067227100000001e-10 9.237334e-11 2.9166169e-10 ] [ 3.5604394e-10 3.8724838e-10 2.4505494e-10 ] [ 5.2238877e-10 2.9383586e-10 3.9779554e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.65e-05 -5.51e-05 3.82e-05 ] [ 3.12e-05 5.3e-06 -5.51e-05 ] [ 1.98e-05 1.71e-05 2.37e-05 ] [ -6.27e-05 3.78e-05 -1.87e-05 ] [ 1.32e-05 -7.2e-06 1.04e-05 ] [ -1.8e-05 2.1e-06 1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.64359142432e-14 -8.827993180608e-14 6.120314691456e-14 ] [ 4.998791056896e-14 8.491536090240001e-15 -8.827993180608e-14 ] [ 3.172309709184e-14 2.739722021568e-14 3.797158591296e-14 ] [ -1.0045647412416e-13 6.056227626623999e-14 -2.996070280896e-14 ] [ 2.114873139456e-14 -1.153567166976e-14 1.666263685632e-14 ] [ -2.88391791744e-14 3.36457090368e-15 2.4032649312e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.567729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853354495955016e-18 } }