{ "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" [ [ 2.04098 2.133134 3.812884 ] [ 2.161605 4.797503 2.926814 ] [ 2.748178 3.149118 1.513672 ] [ 4.833213 2.247647 2.725743 ] [ 4.087134 1.710162 4.852625 ] [ 4.720686 4.556589 2.507622 ] [ 3.429181 3.830938 4.469304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.04098e-10 2.133134e-10 3.812884e-10 ] [ 2.161605e-10 4.797503e-10 2.926814e-10 ] [ 2.748178e-10 3.149118e-10 1.513672e-10 ] [ 4.833213e-10 2.247647e-10 2.725743e-10 ] [ 4.087134e-10 1.710162e-10 4.852625e-10 ] [ 4.720686e-10 4.556589e-10 2.507622e-10 ] [ 3.429181e-10 3.830938e-10 4.469304000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5652238 0.0877049 -1.586433 ] [ -0.4421165 0.6320396 -0.4578225 ] [ 1.2040612 -1.1071707 0.8836241 ] [ -0.8648336 0.2748974 -0.580447 ] [ 0.5083452 -0.8824142 0.1937597 ] [ -1.3080344 -0.4514746 0.2087014 ] [ 1.4678018 1.4464176 1.3386174 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.055883578797351e-10 1.405187403096019e-10 -2.541745863065606e-09 ] [ -7.083487199699232e-10 1.012639070539784e-09 -7.335125059762081e-10 ] [ 1.929118704652393e-09 -1.77388301077477e-09 1.415721874595441e-09 ] [ -1.385616174802299e-09 4.40434187398706e-10 -9.299786130134977e-10 ] [ 8.144587947359003e-10 -1.413783401101935e-09 3.104372613932218e-10 ] [ -2.095702134882156e-09 -7.233420490050317e-10 3.343765038082292e-10 ] [ 2.351677727928157e-09 2.317416462633646e-09 2.144701502476082e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.45244408557246 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.354230830252343e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1828132 2.2913836 3.5248686 ] [ 2.136373 4.5989994 3.0716184 ] [ 2.9118789 3.055831 1.4232598 ] [ 4.6364871 2.29419 2.8297845 ] [ 3.9119047 1.6404952 4.9476836 ] [ 4.4334213 4.6016273 2.4209096 ] [ 3.8080988 3.9425645 4.5905395 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1828132e-10 2.2913836e-10 3.5248686e-10 ] [ 2.136373e-10 4.5989994e-10 3.0716184e-10 ] [ 2.9118789e-10 3.055831e-10 1.4232598e-10 ] [ 4.6364871e-10 2.29419e-10 2.8297845e-10 ] [ 3.9119047e-10 1.6404952e-10 4.947683600000001e-10 ] [ 4.4334213e-10 4.6016273e-10 2.4209096e-10 ] [ 3.8080988e-10 3.9425645e-10 4.590539500000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.65e-05 -1.19e-05 -1.25e-05 ] [ 2.76e-05 -2.12e-05 9.9e-06 ] [ 2.54e-05 1.96e-05 2.61e-05 ] [ -1.47e-05 -7.9e-06 7.5e-06 ] [ 4.8e-06 7.43e-05 -4.44e-05 ] [ -2.82e-05 -3.36e-05 3.5e-06 ] [ 1.6e-06 -1.94e-05 9.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.64359142432e-14 -1.906590178752e-14 -2.002720776e-14 ] [ 4.422007473408001e-14 -3.396614436096001e-14 1.586154854592e-14 ] [ 4.069528616832e-14 3.140266176767999e-14 4.181680980288e-14 ] [ -2.355199632576e-14 -1.265719530432e-14 1.2016324656e-14 ] [ 7.69044777984e-15 1.1904172292544e-13 -7.113664196352e-14 ] [ -4.518138070656001e-14 -5.383313445888e-14 5.6076181728e-15 ] [ 2.56348259328e-15 -3.108222644352e-14 1.570133088384e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.660528085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.547787224328598e-18 } }