{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1023418 0.1613614 0.1060959 ] [ -0.6975229 -0.8403627 -0.2716461 ] [ 0.4949097 -0.239158 0.6183798 ] [ -0.0791521 0.407498 -1.6343435 ] [ -0.3916343 -1.908948 2.0626119 ] [ -0.6598788 1.9098105 -1.0852325 ] [ 1.2309367 0.5097988 0.2041346 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.639696406415012e-10 2.585294647095275e-10 1.699843719432006e-10 ] [ -1.117554892059918e-09 -1.346409482025152e-09 -4.352250341372274e-10 ] [ 7.929327572799497e-10 -3.83173359434172e-10 9.907536664975931e-10 ] [ -1.268156451520314e-10 6.528837740017321e-10 -2.618506967629779e-09 ] [ -6.274673245329461e-10 -3.058471881121032e-09 3.304668591190344e-09 ] [ -1.057242394631959e-09 3.059853758467857e-09 -1.738734153957405e-09 ] [ 1.972178018673067e-09 8.167877254012391e-10 3.270596863109364e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.475662 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.120345058808171e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9334821 1.1330262 2.100278 ] [ 1.8801451 2.5178029 3.8814642 ] [ 1.7084739 3.1092175 1.5798061 ] [ 4.0673322 3.0965516 1.2442939 ] [ 3.9986939 1.474104 4.2053844 ] [ 3.0140003 4.4813138 3.0254469 ] [ 5.1033805 3.387101 3.3714276 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9334821e-10 1.1330262e-10 2.100278e-10 ] [ 1.8801451e-10 2.5178029e-10 3.8814642e-10 ] [ 1.7084739e-10 3.1092175e-10 1.5798061e-10 ] [ 4.0673322e-10 3.0965516e-10 1.2442939e-10 ] [ 3.9986939e-10 1.474104e-10 4.2053844e-10 ] [ 3.0140003e-10 4.4813138e-10 3.0254469e-10 ] [ 5.1033805e-10 3.387101e-10 3.3714276e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.45e-05 2.5e-06 5e-06 ] [ -3.8e-05 -3.1e-06 3.65e-05 ] [ -3.1e-05 4.13e-05 -5.7e-05 ] [ 1.76e-05 -1.41e-05 -4.41e-05 ] [ 2.75e-05 8e-07 3.12e-05 ] [ -1.12e-05 -2.91e-05 3.3e-05 ] [ 2.07e-05 1.9e-06 -4.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.3231561193e-14 4.005441585e-15 8.010883169999999e-15 ] [ -6.088271209199999e-14 -4.9667475654e-15 5.847944714099999e-14 ] [ -4.966747565399999e-14 6.61698949842e-14 -9.132406813799999e-14 ] [ 2.81983087584e-14 -2.25906905394e-14 -7.06559895594e-14 ] [ 4.4059857435e-14 1.2817413072e-15 4.998791098079999e-14 ] [ -1.79443783008e-14 -4.66233400494e-14 5.287182892199999e-14 ] [ 3.316505632379999e-14 3.0441356046e-15 -7.370012516399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864829040116e-18 } }