{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.60919 2.3776824 -0.5041073 ] [ -0.1446389 -0.8880265 -0.4924317 ] [ -2.4080837 0.6594617 0.9765719 ] [ -1.0516607 -0.7513527 -1.919707 ] [ 1.3988932 -1.4470165 1.7267086 ] [ -0.6234031 0.3868893 2.7670685 ] [ 0.2197032 -0.3376377 -2.5541031 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.180383217225152e-09 3.809467152967634e-09 -8.076689304346119e-10 ] [ -2.317370640382291e-10 -1.422775296950851e-09 -7.889625570807993e-10 ] [ -3.858175405069561e-09 1.056574118053023e-09 1.564640666710236e-09 ] [ -1.684946186554162e-09 -1.203799729914956e-09 -3.075709674186106e-09 ] [ 2.241273980036099e-09 -2.318376006211843e-09 2.766492149854299e-09 ] [ -9.988018721542444e-10 6.198649912976774e-10 4.433332458852125e-09 ] [ 3.520033305549466e-10 -5.409552292406841e-10 -4.092124273932805e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -29.067913 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.657193062404839e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6116447 1.7181482 2.9596792 ] [ 1.9764858 3.5319169 1.3289689 ] [ 2.0463092 3.7962918 3.8701316 ] [ 3.3030024 1.4534397 1.3777008 ] [ 3.9556694 1.8768339 3.7219453 ] [ 4.5191535 3.4092701 1.5572265 ] [ 4.403973 4.1595414 3.8192998 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6116447e-10 1.7181482e-10 2.9596792e-10 ] [ 1.9764858e-10 3.5319169e-10 1.3289689e-10 ] [ 2.0463092e-10 3.7962918e-10 3.8701316e-10 ] [ 3.3030024e-10 1.4534397e-10 1.3777008e-10 ] [ 3.9556694e-10 1.8768339e-10 3.7219453e-10 ] [ 4.5191535e-10 3.4092701e-10 1.5572265e-10 ] [ 4.403973e-10 4.1595414e-10 3.8192998e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9e-06 4.18e-05 -1.5e-05 ] [ 8.75e-05 -9.97e-05 7.87e-05 ] [ -2.11e-05 -3.35e-05 -4.5e-05 ] [ -3.24e-05 7.51e-05 5.88e-05 ] [ -2.34e-05 7.11e-05 -5.48e-05 ] [ -2.78e-05 2.4e-05 4.6e-06 ] [ 8.2e-06 -7.87e-05 -2.73e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.44195895872e-14 6.697098274944e-14 -2.4032649312e-14 ] [ 1.4019045432e-13 -1.5973700909376e-13 1.2609130005696e-13 ] [ -3.380592669888e-14 -5.36729167968e-14 -7.209794793600001e-14 ] [ -5.191052251392001e-14 1.2032346422208e-13 9.420798530304e-14 ] [ -3.749093292672001e-14 1.1391475773888e-13 -8.779927881984e-14 ] [ -4.454051005824e-14 3.84522388992e-14 7.370012455680001e-15 ] [ 1.313784829056e-14 -1.2609130005696e-13 -4.373942174784e-14 ] ] } "relaxed-potential-energy" { "source-value" -32.196266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.158410466225794e-18 } }