{ "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" [ [ -100.3209177 -206.6093486 19.2485045 ] [ -46.0395055 31.6084451 90.1376578 ] [ -64.0964341 22.8383153 -49.7616809 ] [ -15.6763246 36.1182374 -4.2302449 ] [ 156.8326362 85.1418111 -84.8155171 ] [ 69.3005457 30.9025397 29.4212806 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.607318289161409e-07 -3.310246679656373e-07 3.083950389526359e-08 ] [ -7.376341934529302e-08 5.064231175906032e-08 1.444164479808308e-07 ] [ -1.026938081916679e-07 3.659101483211894e-08 -7.97270017496899e-08 ] [ -2.511624077419191e-08 5.786779554678418e-08 -6.777599479038434e-09 ] [ 2.512735830980718e-07 1.364122191969899e-07 -1.358894385786826e-07 ] [ 1.11031714129222e-07 4.951132663068384e-08 4.71380879313166e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 99.017086 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.58642860248943e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.1976514 -0.2033901 1.2718906 ] [ 0.6719233 1.4109777 3.2642531 ] [ 0.5306969 1.7426601 -0.3467918 ] [ -0.2464744 3.0743369 1.6294372 ] [ 3.0713814 1.4063613 0.0491183 ] [ 3.1718581 1.1703733 2.6182201 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1976514e-10 -2.033901e-11 1.2718906e-10 ] [ 6.719233e-11 1.4109777e-10 3.2642531e-10 ] [ 5.306969000000001e-11 1.7426601e-10 -3.467918e-11 ] [ -2.464744e-11 3.0743369e-10 1.6294372e-10 ] [ 3.0713814e-10 1.4063613e-10 4.91183e-12 ] [ 3.1718581e-10 1.1703733e-10 2.6182201e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.25e-05 1.19e-05 2.9e-06 ] [ 6.6e-06 -1.25e-05 -1.62e-05 ] [ 1.8e-06 -7.1e-06 5.4e-06 ] [ 1.44e-05 9.7e-06 2.5e-06 ] [ -2.12e-05 -7.6e-06 2.92e-05 ] [ -2.41e-05 5.6e-06 -2.38e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.604897396800001e-14 1.906590178752e-14 4.646312200320001e-15 ] [ 1.057436569728e-14 -2.002720776e-14 -2.595526125696e-14 ] [ 2.88391791744e-15 -1.137545400768e-14 8.65175375232e-15 ] [ 2.307134333952e-14 1.554111322176e-14 4.005441552e-15 ] [ -3.396614436096001e-14 -1.217654231808e-14 4.678355732736e-14 ] [ -3.861245656128e-14 8.972189076479999e-15 -3.813180357504e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.684471 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.15379992290156e-18 } }