{ "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" [ [ 2.836172 2.264881 3.605889 ] [ 1.711544 3.356754 1.507539 ] [ 2.817956 4.908146 3.003841 ] [ 0.8092812 3.284881 3.852119 ] [ 4.796821 1.314646 2.655969 ] [ 4.297416 3.615744 1.848977 ] [ 4.570903 3.768738 4.135906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.836172e-10 2.264881e-10 3.605889e-10 ] [ 1.711544e-10 3.356754e-10 1.507539e-10 ] [ 2.817956e-10 4.908146e-10 3.003841e-10 ] [ 8.092812000000001e-11 3.284881e-10 3.852119e-10 ] [ 4.796821e-10 1.314646e-10 2.655969e-10 ] [ 4.297416000000001e-10 3.615744e-10 1.848977e-10 ] [ 4.570903000000001e-10 3.768738e-10 4.135906000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.7184989 -14.0215051 8.87716 ] [ -4.7532174 -0.7961735 -7.2452407 ] [ -3.2889532 14.222298 1.1750119 ] [ -5.3336071 0.4471378 2.6030388 ] [ 2.7373831 -4.9519145 -2.0028565 ] [ 8.4293529 1.8001133 -12.2824887 ] [ 5.9275406 3.300044 8.8753753 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.957692002050518e-09 -2.246492765964797e-08 1.422277821110093e-08 ] [ -7.615493791859761e-09 -1.275610567800509e-09 -1.160815526160863e-08 ] [ -5.269483923945346e-09 2.27866333496506e-08 1.882576595341788e-09 ] [ -8.545380600152888e-09 7.163937294359463e-10 4.170527908395287e-09 ] [ 4.385771204993029e-09 -7.933841640100523e-09 -3.208929859117315e-09 ] [ 1.350531214485268e-08 2.884099444051136e-09 -1.967871624038019e-08 ] [ 9.496966968162804e-09 5.287253344411316e-09 1.421991880648579e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.2981817 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.16929760940904e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.2058572 2.0134629 4.4172323 ] [ 2.1471563 3.8890519 1.2986486 ] [ 2.2994512 5.2980822 3.4866758 ] [ 1.192112 2.9381005 3.5039618 ] [ 4.206648 1.0325438 2.473284 ] [ 4.4383082 3.2406031 1.5713182 ] [ 4.3505603 4.1019455 3.8591193 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2058572e-10 2.0134629e-10 4.4172323e-10 ] [ 2.1471563e-10 3.8890519e-10 1.2986486e-10 ] [ 2.2994512e-10 5.2980822e-10 3.4866758e-10 ] [ 1.192112e-10 2.9381005e-10 3.5039618e-10 ] [ 4.206648000000001e-10 1.0325438e-10 2.473284e-10 ] [ 4.4383082e-10 3.2406031e-10 1.5713182e-10 ] [ 4.3505603e-10 4.101945500000001e-10 3.8591193e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.9e-06 -3.27e-05 2.03e-05 ] [ -3.2e-05 -1.94e-05 -7.2e-06 ] [ 2e-07 1.12e-05 -7.6e-06 ] [ 8.6e-06 3.35e-05 -3.01e-05 ] [ 1.43e-05 -1.28e-05 -2.06e-05 ] [ -2.05e-05 9.7e-06 4.34e-05 ] [ 2.15e-05 1.06e-05 1.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.265719530432e-14 -5.239117550016001e-14 3.252418540224e-14 ] [ -5.12696518656e-14 -3.108222644352e-14 -1.153567166976e-14 ] [ 3.2043532416e-16 1.794437815296e-14 -1.217654231808e-14 ] [ 1.377871893888e-14 5.36729167968e-14 -4.822551628608e-14 ] [ 2.291112567744e-14 -2.050786074624e-14 -3.300483838848e-14 ] [ -3.28446207264e-14 1.554111322176e-14 6.953446534272e-14 ] [ 3.44467973472e-14 1.698307218048e-14 3.04413557952e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.875973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.864046601465204e-18 } }