{ "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" [ [ 0.4782146 0.2463157 2.780652 ] [ 1.177721 1.395115 2.585121 ] [ 0.0381624 2.281468 2.997086 ] [ 2.63123 2.94255 0.0860101 ] [ 1.942246 2.110601 1.196975 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.782146e-11 2.463157e-11 2.780652e-10 ] [ 1.177721e-10 1.395115e-10 2.585121e-10 ] [ 3.81624e-12 2.281468e-10 2.997086e-10 ] [ 2.63123e-10 2.94255e-10 8.601010000000001e-12 ] [ 1.942246e-10 2.110601e-10 1.196975e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -99.5352805 -191.6976717 6.4108044 ] [ 156.5333372 99.6729076 30.6850236 ] [ -79.3682615 76.0912504 26.6244759 ] [ 59.4257931 72.3930902 -95.346109 ] [ -37.0555883 -56.4595764 31.6258051 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.594731006757358e-07 -3.07133530389943e-07 1.027124101482439e-08 ] [ 2.50794055303883e-07 1.59693603599561e-07 4.916282782565856e-08 ] [ -1.271619740565018e-07 1.219116234427232e-07 4.265711317947612e-08 ] [ 9.521061716173842e-08 1.159865175814944e-07 -1.527613079826171e-07 ] [ -5.936959773338377e-08 -9.045821407361783e-08 5.067012596265803e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 120.98158 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.938338606204017e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.3573663 -0.6888635 3.1710042 ] [ 1.376232 1.4410463 2.8006932 ] [ -0.3288005 3.042352 3.2910224 ] [ 3.0997311 3.591157 0.0123431 ] [ 1.7630451 1.590358 0.3707812 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.573663e-11 -6.888635e-11 3.1710042e-10 ] [ 1.376232e-10 1.4410463e-10 2.8006932e-10 ] [ -3.288005e-11 3.042352e-10 3.2910224e-10 ] [ 3.0997311e-10 3.591157e-10 1.23431e-12 ] [ 1.7630451e-10 1.590358e-10 3.707812e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.2e-06 -1.91e-05 5e-07 ] [ -4e-06 4.33e-05 1.2e-06 ] [ 5.9e-06 -6.3e-06 1.12e-05 ] [ 9.1e-06 1.52e-05 6.5e-06 ] [ -3.7e-06 -3.31e-05 -1.95e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.15356717648e-14 -3.06015737094e-14 8.010883169999999e-16 ] [ -6.408706535999999e-15 6.93742482522e-14 1.9226119608e-15 ] [ 9.452842140600001e-15 -1.00937127942e-14 1.79443783008e-14 ] [ 1.45798073694e-14 2.43530848368e-14 1.0414148121e-14 ] [ -5.9280535458e-15 -5.303204658539999e-14 -3.1242444363e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.681533 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.192023248989992e-18 } }