{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.0531059 -37.8025468 -28.4577251 ] [ -29.2031004 -28.1569175 58.0902936 ] [ 4.2201281 81.3390662 -30.4087742 ] [ 29.9773574 -12.4156654 1.5525848 ] [ -24.0326248 25.787277 31.8957702 ] [ -51.4628627 -7.2059917 80.8392708 ] [ 79.5542084 -21.5452218 -113.51142 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.450467461860654e-08 -6.056635668965786e-08 -4.559430183637334e-08 ] [ -4.678852471575513e-08 -4.511235493229438e-08 9.307091030132787e-08 ] [ 6.761390578601125e-09 1.303195502233435e-07 -4.872022709042622e-08 ] [ 4.802902117964587e-08 -1.989208883555548e-08 2.487515068369444e-09 ] [ -3.850450959101828e-08 4.131577232349356e-08 5.110265731684934e-08 ] [ -8.245259545738038e-08 -1.154527143141885e-08 1.295187897182801e-07 ] [ 1.27459892784731e-07 -3.451925065791049e-08 -1.818653433178096e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 58.415672 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.359222396672118e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8279613 1.0006949 1.4136691 ] [ 1.5191484 1.8854957 3.7947332 ] [ 2.7947994 3.9957685 2.2727789 ] [ 5.3647933 2.7868714 1.7028772 ] [ 4.433777 2.9203069 4.583243 ] [ 3.2972244 0.2091185 5.2089844 ] [ 5.0659802 0.2171087 3.0082242 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8279613e-10 1.0006949e-10 1.4136691e-10 ] [ 1.5191484e-10 1.8854957e-10 3.7947332e-10 ] [ 2.7947994e-10 3.9957685e-10 2.2727789e-10 ] [ 5.3647933e-10 2.7868714e-10 1.7028772e-10 ] [ 4.433777e-10 2.9203069e-10 4.583243000000001e-10 ] [ 3.2972244e-10 2.091185e-11 5.2089844e-10 ] [ 5.065980200000001e-10 2.171087e-11 3.0082242e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.15e-05 -9.4e-06 3.23e-05 ] [ -2.7e-06 -2e-07 -4.6e-06 ] [ -3.11e-05 8e-07 -5.6e-06 ] [ 3.83e-05 -1.99e-05 -3.1e-06 ] [ 1.09e-05 -8.8e-06 2.43e-05 ] [ 2.4e-06 1.28e-05 -4.02e-05 ] [ -6.2e-06 2.46e-05 -3.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.84250311392e-14 -1.506046023552e-14 5.175030485184e-14 ] [ -4.32587687616e-15 -3.2043532416e-16 -7.370012455680001e-15 ] [ -4.982769290688e-14 1.28174129664e-15 -8.972189076479999e-15 ] [ 6.136336457664001e-14 -3.188331475392e-14 -4.96674752448e-15 ] [ 1.746372516672e-14 -1.409915426304e-14 3.893289188544e-14 ] [ 3.84522388992e-15 2.050786074624e-14 -6.440750015616e-14 ] [ -9.93349504896e-15 3.941354487168e-14 -4.96674752448e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.780386 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.008949537879963e-18 } }