{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.498941 0.2917441 1.412179 ] [ 0.7321813 1.344758 2.47059 ] [ 0.7391833 1.573141 0.3619984 ] [ 0.011627 2.973124 1.6693 ] [ 2.701347 1.320916 0.403113 ] [ 2.713757 1.097636 2.168947 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.498941e-10 2.917441e-11 1.412179e-10 ] [ 7.321813e-11 1.344758e-10 2.47059e-10 ] [ 7.391833000000001e-11 1.573141e-10 3.619984e-11 ] [ 1.1627e-12 2.973124e-10 1.6693e-10 ] [ 2.701347e-10 1.320916e-10 4.03113e-11 ] [ 2.713757e-10 1.097636e-10 2.168947e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.6474511 -91.0322187 -10.7020426 ] [ -52.1064251 9.8137841 79.629916 ] [ -49.8416398 22.3490962 -70.8845992 ] [ -22.8947385 38.6607499 2.6788292 ] [ 59.532743 15.03355 -62.7810123 ] [ 75.9575116 5.1750385 62.0589089 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.705909722353124e-08 -1.458496925406926e-07 -1.714656244852565e-08 ] [ -8.348369608868631e-08 1.572341544659877e-08 1.275811897314679e-07 ] [ -7.98551100298948e-08 3.580719942765012e-08 -1.135696476130184e-07 ] [ -3.668141476402966e-08 6.194134963237593e-08 4.291957515356368e-09 ] [ 9.538196900669486e-08 2.408640233762784e-08 -1.005862701372172e-07 ] [ 1.216973492596648e-07 8.291325696439902e-09 9.942933295193705e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 101.28327 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.62273687272174e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.4176058 -0.4232535 1.3063445 ] [ 0.9286635 1.216916 3.1203694 ] [ 0.7714145 1.4962966 -0.253187 ] [ -0.0443795 2.9506308 1.6072873 ] [ 3.1063717 1.7789476 0.1620878 ] [ 3.2173606 1.5817817 2.5432255 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.176058000000001e-11 -4.232535e-11 1.3063445e-10 ] [ 9.286635e-11 1.216916e-10 3.1203694e-10 ] [ 7.714145e-11 1.4962966e-10 -2.53187e-11 ] [ -4.43795e-12 2.9506308e-10 1.6072873e-10 ] [ 3.1063717e-10 1.7789476e-10 1.620878e-11 ] [ 3.2173606e-10 1.5817817e-10 2.5432255e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.99e-05 -1.86e-05 2.87e-05 ] [ -2.42e-05 -2.53e-05 6.55e-05 ] [ 2.12e-05 -2.41e-05 -5.86e-05 ] [ -2.54e-05 2.42e-05 1.56e-05 ] [ 6.1e-05 4.9e-05 -4.3e-05 ] [ 1.74e-05 -5.3e-06 -8.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.994861337792e-14 -2.980048514688e-14 4.598246901696e-14 ] [ -3.877267422336e-14 -4.053506850624e-14 1.049425686624e-13 ] [ 3.396614436096001e-14 -3.861245656128e-14 -9.388754997888e-14 ] [ -4.069528616832e-14 3.877267422336e-14 2.499395528448e-14 ] [ 9.773277386880001e-14 7.85066544192e-14 -6.889359469439999e-14 ] [ 2.787787320192e-14 -8.491536090240001e-15 -1.297763062848e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.021911 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.246557798313835e-18 } }