{ "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" [ [ 1.743709 2.680969 1.034902 ] [ 2.749822 1.528948 3.390438 ] [ 1.938557 3.742026 2.98984 ] [ 3.932402 1.721019 1.334077 ] [ 5.171354 1.721023 3.429234 ] [ 4.220666 3.803748 1.650722 ] [ 4.237092 3.532846 4.042988 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.743709e-10 2.680969e-10 1.034902e-10 ] [ 2.749822e-10 1.528948e-10 3.390438e-10 ] [ 1.938557e-10 3.742026e-10 2.98984e-10 ] [ 3.932402e-10 1.721019e-10 1.334077e-10 ] [ 5.171354e-10 1.721023e-10 3.429234e-10 ] [ 4.220666e-10 3.803748e-10 1.650722e-10 ] [ 4.237092e-10 3.532846e-10 4.042988e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9738461 -2.5847203 -5.77115 ] [ -5.1929217 -6.2829599 4.6899293 ] [ -0.7013038 5.8401259 5.7932555 ] [ 0.7970012 -14.6096522 -7.1631424 ] [ 8.5052397 -11.2409981 -2.259519 ] [ 3.5487088 16.2305714 -1.5877542 ] [ -4.982878 12.6476332 6.2983808 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.162450074477259e-09 -4.141178435967162e-09 -9.246401605129919e-09 ] [ -8.319977741384991e-09 -1.006641146120391e-08 7.51409507766491e-09 ] [ -1.123612552438199e-09 9.356913179508559e-09 9.281818520421015e-09 ] [ 1.276936689389545e-09 -2.340724319285928e-08 -1.14766192847412e-08 ] [ 1.362689620164001e-08 -1.801006435027722e-08 -3.620148516053395e-09 ] [ 5.685658273387223e-09 2.600424203930512e-08 -2.543862658817007e-09 ] [ -7.983450635898663e-09 2.026374222149389e-08 1.00911184666556e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -14.291039 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.289676857274101e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0585042 2.3189619 1.1890765 ] [ 2.2104655 1.3393362 3.5215998 ] [ 2.0737985 3.8635645 3.3399203 ] [ 4.5381666 1.8104823 1.0620177 ] [ 4.6781493 1.3650503 3.4855319 ] [ 3.8766065 4.2284657 1.434977 ] [ 4.5579114 3.8047182 3.8390778 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0585042e-10 2.3189619e-10 1.1890765e-10 ] [ 2.2104655e-10 1.3393362e-10 3.5215998e-10 ] [ 2.0737985e-10 3.8635645e-10 3.3399203e-10 ] [ 4.538166600000001e-10 1.8104823e-10 1.0620177e-10 ] [ 4.6781493e-10 1.3650503e-10 3.4855319e-10 ] [ 3.8766065e-10 4.2284657e-10 1.434977e-10 ] [ 4.5579114e-10 3.8047182e-10 3.8390778e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.39e-05 2.26e-05 -1.63e-05 ] [ 5.5e-06 -2.01e-05 -1.95e-05 ] [ -6.4e-06 -1.4e-05 2.22e-05 ] [ -7.6e-06 -3.87e-05 6.2e-06 ] [ 9.9e-06 1.87e-05 1.3e-05 ] [ 1.77e-05 1.22e-05 -1.04e-05 ] [ 4.9e-06 1.93e-05 4.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.829202123712e-14 3.620919163008e-14 -2.611547891904e-14 ] [ 8.8119714144e-15 -3.220375007808e-14 -3.12424441056e-14 ] [ -1.025393037312e-14 -2.24304726912e-14 3.556832098176e-14 ] [ -1.217654231808e-14 -6.200423522496e-14 9.93349504896e-15 ] [ 1.586154854592e-14 2.996070280896e-14 2.08282960704e-14 ] [ 2.835852618816e-14 1.954655477376e-14 -1.666263685632e-14 ] [ 7.850665441919999e-15 3.092200878144e-14 7.69044777984e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759033381772e-18 } }