{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4338421 -1.161996 -4.2974894 ] [ 0.0 0.0 0.0 ] [ 4.0373043 0.5403786 -0.0768053 ] [ -3.3952135 -1.5312411 9.3701572 ] [ -0.2942852 1.2250595 -6.6049732 ] [ -1.6742534 -0.2885025 4.4362946 ] [ 3.7602899 1.2163015 -2.8271838 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.899444911338776e-09 -1.861722824663117e-09 -6.885337044815819e-09 ] [ 0.0 0.0 0.0 ] [ 6.468474560515309e-09 8.65781959300635e-10 -1.230556560135303e-10 ] [ -5.439731692324541e-09 -2.453318691228075e-09 1.501264679906079e-08 ] [ -4.714968672874521e-10 1.962761689988938e-09 -1.058233364205056e-08 ] [ -2.682449654774911e-09 -4.62231960542352e-10 7.107727491101288e-09 ] [ 6.024648565210371e-09 1.948729827143971e-09 -4.529647787064503e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.3189862 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.172630857759783e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9038981 0.3896832 2.8092282 ] [ 1.1864293 3.1675165 0.2735239 ] [ 1.3524812 1.5270593 1.7297015 ] [ 1.4192996 3.9535783 5.0532103 ] [ 3.2886746 4.4356629 3.9974223 ] [ 5.0744113 3.3249821 3.3329237 ] [ 4.9437589 1.1296507 3.1817438 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.903898100000001e-10 3.896832e-11 2.8092282e-10 ] [ 1.1864293e-10 3.1675165e-10 2.735239e-11 ] [ 1.3524812e-10 1.5270593e-10 1.7297015e-10 ] [ 1.4192996e-10 3.9535783e-10 5.0532103e-10 ] [ 3.2886746e-10 4.4356629e-10 3.9974223e-10 ] [ 5.0744113e-10 3.3249821e-10 3.3329237e-10 ] [ 4.9437589e-10 1.1296507e-10 3.1817438e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.5662433 0.0557271 -0.4207615 ] [ -0.1724167 0.0884419 -0.0864641 ] [ 0.3437519 -0.4681806 0.2530658 ] [ -0.1372826 0.1701274 0.0325286 ] [ 0.4401151 -0.081478 -0.0549103 ] [ -0.21857 0.16176 0.2424193 ] [ 0.3106457 0.0736021 0.0341222 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.072217769446407e-10 8.928465676498369e-11 -6.741342382327393e-10 ] [ -2.762420057754874e-10 1.416995444791315e-10 -1.385307595585133e-10 ] [ 5.507512575355796e-10 -7.501080116321164e-10 4.054561082840487e-10 ] [ -2.199509721626381e-10 2.7257414283749e-10 5.211656242735488e-11 ] [ 7.05142123681054e-10 -1.305421467095424e-10 -8.797599890111425e-11 ] [ -3.50187744008256e-10 2.59168090180608e-10 3.883985348907014e-10 ] [ 4.977092778920506e-10 1.179235638617837e-10 5.466979109026176e-11 ] ] } "relaxed-potential-energy" { "source-value" -15.648527 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.507170410935756e-18 } }