{ "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" [ [ 2.682391 2.686577 1.562325 ] [ 1.212844 1.781832 3.455784 ] [ 1.883235 4.08794 3.099932 ] [ 4.668223 1.307552 1.415877 ] [ 3.293332 1.297731 3.803317 ] [ 4.485506 3.146522 2.925064 ] [ 3.343094 3.696236 5.003524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682391e-10 2.686577e-10 1.562325e-10 ] [ 1.212844e-10 1.781832e-10 3.455784e-10 ] [ 1.883235e-10 4.08794e-10 3.099932e-10 ] [ 4.668223000000001e-10 1.307552e-10 1.415877e-10 ] [ 3.293332e-10 1.297731e-10 3.803317e-10 ] [ 4.485506e-10 3.146522e-10 2.925064e-10 ] [ 3.343094e-10 3.696236e-10 5.003524e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -34.7419253 -4.300168 -44.4930556 ] [ -38.6441351 7.951203 -6.1426803 ] [ -22.3573209 19.9710545 14.1679774 ] [ 17.6740343 -31.3719435 -18.6811477 ] [ 31.5790429 -9.1485982 33.3364826 ] [ 53.3718785 32.7110953 12.5158004 ] [ -6.8815743 -15.8126431 9.2966232 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.566270047724003e-08 -6.889628635112294e-09 -7.128573347027451e-08 ] [ -6.191472978825667e-08 1.273923155383482e-08 -9.84165876570873e-09 ] [ -3.582037684970322e-08 3.199715661262264e-08 2.269960215430277e-08 ] [ 2.831692455067729e-08 -5.026339442475853e-08 -2.993049809465169e-08 ] [ 5.059520424162024e-08 -1.465767014913296e-08 5.3410933041426e-08 ] [ 8.551117594087818e-08 5.240895213042076e-08 2.005252279147929e-08 ] [ -1.102549745775812e-08 -2.533464708787444e-08 1.489483234342688e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 25.627494 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.105977173649228e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.586059 3.0450244 1.0524946 ] [ 1.0060438 1.4861751 2.9576347 ] [ 1.501787 4.2430921 3.490717 ] [ 4.5094675 1.0454751 1.9788777 ] [ 3.2459665 0.8893553 4.3853003 ] [ 5.0052034 3.8023785 2.512023 ] [ 3.7140978 3.4928895 4.8887757 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.586059e-10 3.0450244e-10 1.0524946e-10 ] [ 1.0060438e-10 1.4861751e-10 2.9576347e-10 ] [ 1.501787e-10 4.243092100000001e-10 3.490717e-10 ] [ 4.509467500000001e-10 1.0454751e-10 1.9788777e-10 ] [ 3.2459665e-10 8.893553e-11 4.3853003e-10 ] [ 5.0052034e-10 3.8023785e-10 2.512023e-10 ] [ 3.7140978e-10 3.4928895e-10 4.8887757e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6e-07 1.14e-05 2.56e-05 ] [ -4.2e-06 2.42e-05 -3.16e-05 ] [ -7e-07 -3.78e-05 1.27e-05 ] [ -2.7e-06 -2.1e-06 2.86e-05 ] [ 6.3e-06 1.41e-05 8.9e-06 ] [ 9e-07 8e-07 -2.96e-05 ] [ -3e-07 -1.07e-05 -1.46e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.6130597248e-16 1.826481347712e-14 4.101572149248001e-14 ] [ -6.72914180736e-15 3.877267422336e-14 -5.062878121728e-14 ] [ -1.12152363456e-15 -6.056227626623999e-14 2.034764308416e-14 ] [ -4.32587687616e-15 -3.36457090368e-15 4.582225135488e-14 ] [ 1.009371271104e-14 2.259069035328e-14 1.425937192512e-14 ] [ 1.44195895872e-15 1.28174129664e-15 -4.742442797568e-14 ] [ -4.8065298624e-16 -1.714328984256e-14 -2.339177866368e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.619169 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.143337389132412e-18 } }