{ "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" [ [ 2.845445 0.9973996 1.833851 ] [ 2.258239 2.496991 3.58031 ] [ 1.78294 4.270758 1.69672 ] [ 2.678494 4.477221 3.72616 ] [ 4.64173 2.41566 3.489752 ] [ 3.528967 5.47506 1.628646 ] [ 3.443776 3.131475 0.8054665 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.845445e-10 9.973996000000001e-11 1.833851e-10 ] [ 2.258239e-10 2.496991e-10 3.58031e-10 ] [ 1.78294e-10 4.270758e-10 1.69672e-10 ] [ 2.678494e-10 4.477221e-10 3.72616e-10 ] [ 4.64173e-10 2.41566e-10 3.489752e-10 ] [ 3.528967e-10 5.475060000000001e-10 1.628646e-10 ] [ 3.443776e-10 3.131475e-10 8.054665e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.698812 0.0728565 -1.1985097 ] [ -2.3692056 0.146151 0.5017957 ] [ -5.1454202 -2.2515778 -3.3511899 ] [ -0.7009624 -0.9255798 8.5110209 ] [ 4.5861018 0.563369 1.7192669 ] [ 4.5460102 9.2557687 -1.5969377 ] [ 0.7822884 -6.8609876 -4.5854463 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.721796891958808e-09 1.16728981935021e-10 -1.92022423696235e-09 ] [ -3.79588585346195e-09 2.34159717235734e-10 8.039653455816736e-10 ] [ -8.243872016551606e-09 -3.607425340793125e-09 -5.369198153876796e-09 ] [ -1.123065578592562e-09 -1.482942328462393e-09 1.363615881746565e-08 ] [ 7.34774514510534e-09 9.02616648119946e-10 2.754569254789614e-09 ] [ 7.283511320365665e-09 1.482937634084856e-08 -2.558576268893702e-09 ] [ 1.253364195529245e-09 -1.099251401888374e-08 -7.346694918321754e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.413894 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.66848976357528e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6845473 0.971708 1.9297571 ] [ 2.0850599 2.5456011 3.6102138 ] [ 1.8568589 4.1918996 1.4552386 ] [ 2.7137509 4.2644266 3.8881034 ] [ 4.8785317 2.662932 3.4907563 ] [ 3.6404166 5.9972745 1.9567876 ] [ 3.3204257 2.6307229 0.4300488 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6845473e-10 9.717080000000001e-11 1.9297571e-10 ] [ 2.0850599e-10 2.5456011e-10 3.6102138e-10 ] [ 1.8568589e-10 4.191899600000001e-10 1.4552386e-10 ] [ 2.7137509e-10 4.2644266e-10 3.8881034e-10 ] [ 4.8785317e-10 2.662932e-10 3.4907563e-10 ] [ 3.6404166e-10 5.9972745e-10 1.9567876e-10 ] [ 3.3204257e-10 2.6307229e-10 4.300488e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.51e-05 -3.64e-05 3.94e-05 ] [ -5.41e-05 -0.0001259 -0.0001232 ] [ 4.27e-05 -2.06e-05 -8.5e-06 ] [ 4.04e-05 0.0001513 3.7e-05 ] [ 4.18e-05 1.2e-05 -1.4e-05 ] [ 2.2e-06 0.0001105 7.75e-05 ] [ -5.8e-05 -9.1e-05 -8.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.41928671734e-14 -5.831922947759999e-14 6.31257593796e-14 ] [ -8.66777558994e-14 -2.017140382206e-13 -1.973881613088e-13 ] [ 6.84129422718e-14 -3.300483866039999e-14 -1.3618501389e-14 ] [ 6.472793601359999e-14 2.424093247241999e-13 5.9280535458e-14 ] [ 6.697098330119999e-14 1.9226119608e-14 -2.243047287599999e-14 ] [ 3.5247885948e-15 1.77040518057e-13 1.24168689135e-13 ] [ -9.292624477199999e-14 -1.45798073694e-13 -1.31378483988e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.618845 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.662632514306773e-18 } }