{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9284271 1.0315245 -0.2042322 ] [ -0.511617 1.5733653 0.8126 ] [ -5.6509711 -1.7892363 -1.1263428 ] [ 1.5103171 -1.6623325 0.5937653 ] [ -0.8186961 0.5661262 -0.5214804 ] [ 4.4260382 0.8741754 1.3595879 ] [ 0.1165019 -0.5936226 -0.9138979 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.487504193737144e-09 1.65268443768241e-09 -3.272160560545498e-10 ] [ -8.197007962038337e-10 2.520809099637978e-09 1.30192872206208e-09 ] [ -9.05385378123646e-09 -2.866672568946695e-09 -1.80460010116641e-09 ] [ 2.419794747614456e-09 -2.663350267496016e-09 9.513168819022982e-10 ] [ -1.311695750960139e-09 9.070341620623449e-10 -8.355037050854323e-10 ] [ 7.091294926807714e-09 1.400583388358488e-09 2.178299947302568e-09 ] [ 1.866566204587795e-10 -9.510882512985101e-10 -1.464225849178216e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.646205 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.506798385524407e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3396656 2.069698 3.268161 ] [ 3.1409697 5.2164173 2.5479401 ] [ 2.4363879 3.3719827 1.2617282 ] [ 4.3201721 2.040553 1.9609813 ] [ 5.4129995 3.2012491 3.6801404 ] [ 5.4341464 4.953511 2.1383619 ] [ 3.2889618 3.8520799 4.47066 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3396656e-10 2.069698e-10 3.268161e-10 ] [ 3.1409697e-10 5.2164173e-10 2.5479401e-10 ] [ 2.4363879e-10 3.3719827e-10 1.2617282e-10 ] [ 4.3201721e-10 2.040553e-10 1.9609813e-10 ] [ 5.4129995e-10 3.2012491e-10 3.6801404e-10 ] [ 5.434146400000001e-10 4.953511e-10 2.1383619e-10 ] [ 3.2889618e-10 3.8520799e-10 4.47066e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.2359215 -0.0111433 0.1360684 ] [ 0.0224659 -0.0051686 -0.0415475 ] [ 0.0838488 -0.0270432 0.060696 ] [ 0.0862444 -0.0171787 -0.0628171 ] [ 0.0182252 -0.0084142 -0.0685478 ] [ -0.021245 0.1028301 0.0817065 ] [ 0.0463823 -0.0338822 -0.1055583 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.779879116440672e-10 -1.785353473856064e-11 2.180056093096627e-10 ] [ 3.599433974523072e-11 -8.28101008226688e-12 -6.6566433152688e-11 ] [ 1.343405870421351e-10 -4.332798279161857e-11 9.72457121760768e-11 ] [ 1.381787613549235e-10 -2.752331151573696e-11 -1.006440890064557e-10 ] [ 2.919998934940416e-11 -1.348103452273536e-11 -1.098256825672743e-10 ] [ -3.4038242308896e-11 1.647519821345261e-10 1.309082440673952e-10 ] [ 7.431263667893184e-11 -5.428526870126976e-11 -1.691230403913926e-10 ] ] } "relaxed-potential-energy" { "source-value" -22.536756 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.610786357187413e-18 } }