{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7000694 0.661287 1.948722 ] [ 0.7009801 2.943734 0.5112142 ] [ 1.776961 0.8237646 0.2230389 ] [ 2.520436 2.54344 2.202058 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.000694e-11 6.61287e-11 1.948722e-10 ] [ 7.009801e-11 2.943734e-10 5.112142e-11 ] [ 1.776961e-10 8.237646e-11 2.230389e-11 ] [ 2.520436e-10 2.54344e-10 2.202058e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.8834265 -0.7757158 7.6719147 ] [ -1.2278305 1.5899148 -0.1995103 ] [ 5.619407 -0.6953824 -7.7944792 ] [ 0.49185 -0.1188166 0.3220749 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.8241118321564e-09 -1.242833729384617e-09 1.229176247038112e-08 ] [ -1.967201337612537e-09 2.547324342610783e-09 -3.196507409023301e-10 ] [ 9.003282592336036e-09 -1.114125432974841e-09 -1.248813244843901e-08 ] [ 7.880305774328999e-10 -1.903651802513244e-10 5.160208791778865e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.0735262 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.12868512962681e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.4985655 0.8054822 2.139941 ] [ 0.5302466 2.9104159 0.5747541 ] [ 2.0834403 0.8624599 0.0503274 ] [ 2.586194 2.3938677 2.1200106 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.985655e-11 8.054822e-11 2.139941e-10 ] [ 5.302466e-11 2.9104159e-10 5.747541e-11 ] [ 2.0834403e-10 8.624599e-11 5.03274e-12 ] [ 2.586194e-10 2.3938677e-10 2.1200106e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-07 2e-07 -5e-07 ] [ -1e-07 3e-07 9e-07 ] [ 5e-07 -6e-07 3e-07 ] [ -2e-07 1e-07 -6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.204353268e-16 3.204353268e-16 -8.010883169999999e-16 ] [ -1.602176634e-16 4.806529901999999e-16 1.4419589706e-15 ] [ 8.010883169999999e-16 -9.613059803999998e-16 4.806529901999999e-16 ] [ -3.204353268e-16 1.602176634e-16 -9.613059803999998e-16 ] ] } "relaxed-potential-energy" { "source-value" -7.0898797 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.135923959321093e-18 } }