{ "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" [ [ 2.072399 2.177963 4.557602 ] [ 2.377271 3.879759 3.040396 ] [ 5.261436 0.7705425 2.642102 ] [ 4.650297 3.074511 2.607434 ] [ 3.240336 1.703827 1.872622 ] [ 3.483569 0.4560924 3.818111 ] [ 3.60342 3.885532 5.130911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.072399e-10 2.177963e-10 4.557602e-10 ] [ 2.377271e-10 3.879759e-10 3.040396e-10 ] [ 5.261436e-10 7.705425e-11 2.642102e-10 ] [ 4.650297000000001e-10 3.074511e-10 2.607434e-10 ] [ 3.240336e-10 1.703827e-10 1.872622e-10 ] [ 3.483569e-10 4.560924000000001e-11 3.818111e-10 ] [ 3.60342e-10 3.885532e-10 5.130911000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2779646 -0.3863088 0.5980708 ] [ 0.7893037 -0.4616005 -0.403168 ] [ 1.5486795 0.4519693 -0.7407765 ] [ 1.9981157 2.7920159 1.2739738 ] [ -2.4606486 -1.1092092 -1.0731032 ] [ -1.7388592 -1.0407201 1.3413798 ] [ 0.1413735 -0.2461466 -0.9963767 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.453483835300237e-10 -6.189349277693032e-10 9.582150533431527e-10 ] [ 1.264603934850937e-09 -7.395655292495904e-10 -6.459463438546944e-10 ] [ 2.481258088012234e-09 7.241346457793414e-10 -1.186854789538051e-09 ] [ 3.201334260193427e-09 4.473302599881871e-09 2.041131037871735e-09 ] [ -3.942393658924251e-09 -1.777149047816271e-09 -1.719300858745667e-09 ] [ -2.785959557102991e-09 -1.667417413016638e-09 2.14912735517338e-09 ] [ 2.265053165006688e-10 -3.943703278094092e-10 -1.596371454249855e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.635454 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.145946533759384e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.220595 2.1423062 4.8801503 ] [ 2.3429853 3.5417691 2.9507578 ] [ 5.2296359 0.9891825 2.8498881 ] [ 4.757557 3.2972997 2.7837484 ] [ 3.242399 1.727008 1.70842 ] [ 3.1096299 0.348538 3.652177 ] [ 3.7859258 3.9021235 4.8440365 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.220595e-10 2.1423062e-10 4.8801503e-10 ] [ 2.3429853e-10 3.5417691e-10 2.9507578e-10 ] [ 5.2296359e-10 9.891825e-11 2.8498881e-10 ] [ 4.757557e-10 3.2972997e-10 2.7837484e-10 ] [ 3.242399e-10 1.727008e-10 1.70842e-10 ] [ 3.1096299e-10 3.48538e-11 3.652177e-10 ] [ 3.7859258e-10 3.9021235e-10 4.8440365e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.65e-05 2.17e-05 -1.32e-05 ] [ -1.36e-05 1.8e-06 -4.8e-06 ] [ 7.2e-06 -2.88e-05 -7.5e-06 ] [ -2.76e-05 8.8e-06 2.61e-05 ] [ 1.26e-05 2.19e-05 -2.39e-05 ] [ -1.03e-05 -3.95e-05 1.91e-05 ] [ -4.9e-06 1.41e-05 4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.84794466592e-14 3.476723267136e-14 -2.114873139456e-14 ] [ -2.178960204288e-14 2.88391791744e-15 -7.69044777984e-15 ] [ 1.153567166976e-14 -4.614268667904e-14 -1.2016324656e-14 ] [ -4.422007473408001e-14 1.409915426304e-14 4.181680980288e-14 ] [ 2.018742542208e-14 3.508766799552e-14 -3.829202123712e-14 ] [ -1.650241919424e-14 -6.32859765216e-14 3.060157345728e-14 ] [ -7.850665441919999e-15 2.259069035328e-14 6.889359469440001e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.037892 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.370641871331535e-18 } }