{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.009597 0.3628337 1.078601 ] [ 0.0352367 0.1167127 2.680629 ] [ 0.3335965 1.756245 2.167544 ] [ 2.066416 0.0072977 2.832654 ] [ 2.311694 1.962933 1.086024 ] [ 2.552148 1.611374 2.965257 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.009597e-10 3.628337e-11 1.078601e-10 ] [ 3.52367e-12 1.167127e-11 2.680629e-10 ] [ 3.335965e-11 1.756245e-10 2.167544e-10 ] [ 2.066416e-10 7.2977e-13 2.832654e-10 ] [ 2.311694e-10 1.962933e-10 1.086024e-10 ] [ 2.552148e-10 1.611374e-10 2.965257e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.6793209 -6.056366 -36.0811484 ] [ -15.5993978 21.6140886 5.0585878 ] [ -33.0751041 -8.4837016 21.2284163 ] [ 14.804234 -35.6811007 13.0984557 ] [ 12.9349977 0.4549959 -10.3371282 ] [ 14.2559492 28.1520838 7.0328168 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.070145187696785e-08 -9.703368092152044e-09 -5.780837289436647e-08 ] [ -2.4992990659631e-08 3.462958772012576e-08 8.104751174197465e-09 ] [ -5.299215895613759e-08 -1.359238847334841e-08 3.401167257268473e-08 ] [ 2.371899779906835e-08 -5.716742581694103e-08 2.098603966402411e-08 ] [ 2.072415107578374e-08 7.289837995458005e-10 -1.656190526470248e-08 ] [ 2.284054870373099e-08 4.510461086276993e-08 1.126781474816265e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 12.511202 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.004515550765407e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0291996 0.0340014 0.2154602 ] [ -0.0107861 0.1464 2.4343822 ] [ 0.1106174 2.0657043 2.7888946 ] [ 2.2413945 -0.1646066 3.4973967 ] [ 2.3234493 2.0261316 0.7734258 ] [ 2.6148135 1.7097654 3.1011493 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0291996e-10 3.40014e-12 2.154602e-11 ] [ -1.07861e-12 1.464e-11 2.4343822e-10 ] [ 1.106174e-11 2.0657043e-10 2.7888946e-10 ] [ 2.2413945e-10 -1.646066e-11 3.4973967e-10 ] [ 2.3234493e-10 2.0261316e-10 7.734258e-11 ] [ 2.6148135e-10 1.7097654e-10 3.1011493e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.4e-06 1.33e-05 2.43e-05 ] [ 1.07e-05 -1.52e-05 3.6e-06 ] [ -2.22e-05 2.53e-05 -1.72e-05 ] [ 1.57e-05 3.69e-05 -2.5e-06 ] [ -2.7e-06 1.31e-05 -1.31e-05 ] [ -5.8e-06 -7.34e-05 4.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.0495771896e-15 2.13089492322e-14 3.893289220619999e-14 ] [ 1.71432899838e-14 -2.43530848368e-14 5.767835882399999e-15 ] [ -3.55683212748e-14 4.053506884019999e-14 -2.75574381048e-14 ] [ 2.515417315379999e-14 5.91203177946e-14 -4.005441585e-15 ] [ -4.3258769118e-15 2.09885139054e-14 -2.09885139054e-14 ] [ -9.2926244772e-15 -1.175997649356e-13 7.850665506599998e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.25193 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.283410923540362e-18 } }