{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0417064 1.393533 2.342657 ] [ 0.9221083 2.569653 0.2410471 ] [ 1.810038 0.5140043 0.5075901 ] [ 2.608454 2.928842 0.8878785 ] [ 2.606177 1.867368 2.693771 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.17064e-12 1.393533e-10 2.342657e-10 ] [ 9.221083e-11 2.569653e-10 2.410471e-11 ] [ 1.810038e-10 5.140043e-11 5.075901e-11 ] [ 2.608454e-10 2.928842e-10 8.878785000000001e-11 ] [ 2.606177e-10 1.867368e-10 2.693771e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 29.7049879 -13.4880416 -4.1725796 ] [ -162.9577054 22.5394185 -76.9524429 ] [ 7.713463 -91.9401423 155.74143 ] [ 197.200562 235.9433046 -12.0562174 ] [ -71.6613075 -153.0545392 -62.56019 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.759263752663272e-08 -2.161022508993997e-08 -6.685209538625065e-09 ] [ -2.610870279221356e-07 3.611212966464733e-08 -1.232914059435992e-07 ] [ 1.235833018582354e-08 -1.47304347719695e-07 2.495252800917466e-07 ] [ 3.159501326480683e-07 3.780228495788647e-07 -1.931618981270423e-08 ] [ -1.14814072438389e-07 -2.45220406433877e-07 -1.002324746366005e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 54.572798 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.743526180760193e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.1453459 1.4766979 2.5062821 ] [ 0.3216314 2.7057748 -0.1041015 ] [ 2.0497761 0.1932924 0.4147748 ] [ 3.0470532 3.3119538 0.7604348 ] [ 2.7153689 1.5856814 3.0955535 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.453459e-11 1.4766979e-10 2.5062821e-10 ] [ 3.216314000000001e-11 2.7057748e-10 -1.041015e-11 ] [ 2.0497761e-10 1.932924e-11 4.147748e-11 ] [ 3.0470532e-10 3.3119538e-10 7.604348e-11 ] [ 2.7153689e-10 1.5856814e-10 3.0955535e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.2e-05 1.17e-05 3.1e-06 ] [ -1.76e-05 1.31e-05 -1.66e-05 ] [ 1.32e-05 -1.91e-05 8.8e-06 ] [ -7.3e-06 4e-07 1.88e-05 ] [ -2e-07 -6.2e-06 -1.41e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.9226119608e-14 1.87454666178e-14 4.9667475654e-15 ] [ -2.81983087584e-14 2.09885139054e-14 -2.65961321244e-14 ] [ 2.11487315688e-14 -3.06015737094e-14 1.40991543792e-14 ] [ -1.16958894282e-14 6.408706536e-16 3.012092071919999e-14 ] [ -3.204353268e-16 -9.9334951308e-15 -2.25906905394e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.044174 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.929689415863031e-18 } }