{ "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" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4353237 -0.2031418 -3.1455044 ] [ -2.8147358 -1.2888313 1.2587699 ] [ -1.047481 1.29169 0.6305581 ] [ -0.0928149 -3.3724138 -0.6049409 ] [ 2.4849924 2.3233042 -1.5895375 ] [ 0.8075507 0.2508621 2.2386287 ] [ 1.0978122 0.9985305 1.2120261 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.97465454620153e-10 -3.254690426672295e-10 -5.039653610303532e-09 ] [ -4.509703892488784e-09 -2.064935377015271e-09 2.016771704746754e-09 ] [ -1.678249568932205e-09 2.069515519321152e-09 1.010265445876069e-09 ] [ -1.487058628418899e-10 -5.403202546023287e-09 -9.692221669457107e-10 ] [ 3.981396726145682e-09 3.722343672246447e-09 -2.54671982038488e-09 ] [ 1.293838851650674e-09 4.019253916647916e-10 3.586678565791897e-09 ] [ 1.758889040869014e-09 1.599822222255734e-09 1.941879881219403e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.158021 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.108147362219544e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8826032 1.970016 0.9604578 ] [ 1.8866948 0.920768 3.7319069 ] [ 2.0441087 3.0052531 2.8143678 ] [ 3.8325693 0.1647044 2.3816293 ] [ 5.0795268 2.2504147 1.8560615 ] [ 4.0836264 1.2011484 4.627531 ] [ 4.1574618 3.2749702 3.6759087 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8826032e-10 1.970016e-10 9.604578e-11 ] [ 1.8866948e-10 9.207680000000001e-11 3.7319069e-10 ] [ 2.0441087e-10 3.0052531e-10 2.8143678e-10 ] [ 3.8325693e-10 1.647044e-11 2.3816293e-10 ] [ 5.0795268e-10 2.2504147e-10 1.8560615e-10 ] [ 4.0836264e-10 1.2011484e-10 4.627531e-10 ] [ 4.1574618e-10 3.2749702e-10 3.6759087e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.16e-05 2.26e-05 -2.25e-05 ] [ 1.96e-05 -4.17e-05 3.8e-05 ] [ 9.3e-06 3.32e-05 -2.49e-05 ] [ 8.2e-06 -3.38e-05 2.18e-05 ] [ 2.57e-05 8.7e-06 3.21e-05 ] [ -2.85e-05 2.33e-05 -5.4e-05 ] [ 7.3e-06 -1.23e-05 9.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.665054742528e-14 3.620919163008e-14 -3.604897396800001e-14 ] [ 3.140266176767999e-14 -6.681076508736e-14 6.08827115904e-14 ] [ 1.490024257344e-14 5.319226381056e-14 -3.989419785791999e-14 ] [ 1.313784829056e-14 -5.415356978304e-14 3.492745033344e-14 ] [ 4.117593915456e-14 1.393893660096e-14 5.142986952768e-14 ] [ -4.56620336928e-14 3.733071526464e-14 -8.65175375232e-14 ] [ 1.169588933184e-14 -1.970677243584e-14 1.506046023552e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }