{ "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" [ [ 0.4078131 -0.9518318 -1.7759 ] [ -1.5988613 -0.7041743 0.1137878 ] [ -1.2969609 0.9369526 0.7011636 ] [ -0.8250739 -1.6355507 0.2319593 ] [ 1.4863192 1.4556618 -0.9692479 ] [ 0.7972078 0.342975 0.457617 ] [ 1.029556 0.5559674 1.2406202 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.533886198591053e-10 -1.525002669458161e-09 -2.8453054843206e-09 ] [ -2.561658215866864e-09 -1.128211609723306e-09 1.823081543942652e-10 ] [ -2.07796044919161e-09 1.501163562885548e-09 1.123387936531322e-09 ] [ -1.321914123903253e-09 -2.620441115262343e-09 3.716397704989962e-10 ] [ 2.381345892905573e-09 2.332227322966381e-09 -1.552906337933568e-09 ] [ 1.277267709602545e-09 5.4950653104615e-10 7.331832647211779e-10 ] [ 1.649530566594504e-09 8.907579775457315e-10 1.987692696108407e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.076191 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.536995738792109e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9073832 1.9377254 0.9714668 ] [ 1.9180327 0.9012185 3.7222688 ] [ 2.0055782 3.0354069 2.8093269 ] [ 3.8280095 0.1960213 2.3948933 ] [ 5.0617139 2.2182513 1.8514689 ] [ 4.0720683 1.1814276 4.6030959 ] [ 4.1738052 3.3172239 3.6953424 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9073832e-10 1.9377254e-10 9.714668e-11 ] [ 1.9180327e-10 9.012185e-11 3.7222688e-10 ] [ 2.0055782e-10 3.0354069e-10 2.8093269e-10 ] [ 3.8280095e-10 1.960213e-11 2.3948933e-10 ] [ 5.0617139e-10 2.2182513e-10 1.8514689e-10 ] [ 4.0720683e-10 1.1814276e-10 4.6030959e-10 ] [ 4.173805200000001e-10 3.3172239e-10 3.6953424e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.03e-05 4.2e-06 7.3e-06 ] [ 2.4e-05 -1e-06 8.3e-06 ] [ -1.17e-05 6e-07 1.9e-06 ] [ -3.49e-05 -4.5e-06 -1e-05 ] [ 1.68e-05 -8.1e-06 6.3e-06 ] [ 8.2e-06 -2.5e-06 -5.9e-06 ] [ -2.27e-05 1.13e-05 -7.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.252418567019999e-14 6.729141862799999e-15 1.16958894282e-14 ] [ 3.8452239216e-14 -1.602176634e-15 1.32980660622e-14 ] [ -1.87454666178e-14 9.613059803999998e-16 3.0441356046e-15 ] [ -5.59159645266e-14 -7.209794853e-15 -1.602176634e-14 ] [ 2.691656745119999e-14 -1.29776307354e-14 1.00937127942e-14 ] [ 1.31378483988e-14 -4.005441585e-15 -9.452842140600001e-15 ] [ -3.636940959179999e-14 1.81045959642e-14 -1.24969777452e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993289292598e-18 } }