{ "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" [ [ 0.5308739 0.2525778 2.81745 ] [ 0.4737551 1.568741 0.832487 ] [ 2.312512 2.941662 0.559243 ] [ 2.76942 1.516894 1.016982 ] [ 2.535548 1.814472 2.698768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.308739e-11 2.525778e-11 2.81745e-10 ] [ 4.737551e-11 1.568741e-10 8.32487e-11 ] [ 2.312512e-10 2.941662e-10 5.592430000000001e-11 ] [ 2.76942e-10 1.516894e-10 1.016982e-10 ] [ 2.535548e-10 1.814472e-10 2.698768e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6714125 -1.5554536 1.6793177 ] [ -11.4740499 -3.0069022 -3.4465199 ] [ -14.5078848 62.1922683 -21.7244073 ] [ 28.2076761 -63.1272652 -16.1144054 ] [ -0.5543289 5.4973527 39.6060148 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.677898053275525e-09 -2.492111413191182e-09 2.690563580002621e-09 ] [ -1.838345464713003e-08 -4.817588445563193e-09 -5.521933652396016e-09 ] [ -2.324419403532376e-08 9.96429990857189e-08 -3.480633776355903e-08 ] [ 4.519367954686025e-08 -1.011410292717613e-07 -2.581812380268342e-08 ] [ -8.881328111309225e-10 8.807730044796812e-09 6.345583147841818e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 22.15545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.54969443057553e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3516195 0.8273498 2.9966654 ] [ 0.4624558 0.7973311 0.5382298 ] [ 2.2284847 3.7040395 0.5970311 ] [ 2.8556536 1.2938632 0.6774523 ] [ 2.7238953 1.4717632 3.1155513 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.516195e-11 8.273498e-11 2.9966654e-10 ] [ 4.624558e-11 7.973311e-11 5.382298e-11 ] [ 2.2284847e-10 3.7040395e-10 5.970311000000001e-11 ] [ 2.8556536e-10 1.2938632e-10 6.774523e-11 ] [ 2.7238953e-10 1.4717632e-10 3.1155513e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.7e-06 -3.8e-06 -3e-07 ] [ -8.2e-06 -5.8e-06 -2.8e-06 ] [ 9e-06 -1e-07 2.6e-06 ] [ -3.2e-06 3.1e-06 -1e-07 ] [ -3.2e-06 6.5e-06 5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.1324068138e-15 -6.088271209199999e-15 -4.806529901999999e-16 ] [ -1.31378483988e-14 -9.2926244772e-15 -4.486094575199999e-15 ] [ 1.4419589706e-14 -1.602176634e-16 4.165659248399999e-15 ] [ -5.1269652288e-15 4.9667475654e-15 -1.602176634e-16 ] [ -5.1269652288e-15 1.0414148121e-14 8.010883169999999e-16 ] ] } "relaxed-potential-energy" { "source-value" -12.027456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.92701089696631e-18 } }