{ "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" [ [ -0.6005843 -1.4950778 -0.7064528 ] [ -0.904958 1.6587375 -1.2554778 ] [ 0.211345 -0.3215486 1.7761702 ] [ -0.8899221 0.0292391 1.1482209 ] [ 2.2939536 0.3400338 -0.1223348 ] [ 0.2702277 0.8326624 0.7589184 ] [ -0.3800619 -1.0440465 -1.5990441 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.622421242795334e-10 -2.395378697437098e-09 -1.131862159858698e-09 ] [ -1.449902550405927e-09 2.65759044254424e-09 -2.011497179093418e-09 ] [ 3.38612017922976e-10 -5.15177649370971e-10 2.84573836900166e-09 ] [ -1.42581238295324e-09 4.684620243323328e-11 1.839652681493935e-09 ] [ 3.675318827119995e-09 5.44794204641783e-10 -1.960019564702438e-10 ] [ 4.329525032325562e-10 1.334072230299218e-09 1.215921317574943e-09 ] [ -6.089262906368275e-10 -1.672746893328068e-09 -2.561951072648177e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.270636 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.369237543354683e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5213969 2.3272247 1.6231323 ] [ 1.293662 2.1697517 3.6716201 ] [ 2.1319002 4.2614168 2.9779852 ] [ 4.7285965 1.4375603 1.6076937 ] [ 3.4827772 1.2034576 3.6217923 ] [ 4.3667365 3.409206 2.8903265 ] [ 3.0435556 3.195773 4.8732728 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5213969e-10 2.3272247e-10 1.6231323e-10 ] [ 1.293662e-10 2.1697517e-10 3.6716201e-10 ] [ 2.1319002e-10 4.2614168e-10 2.9779852e-10 ] [ 4.728596500000001e-10 1.4375603e-10 1.6076937e-10 ] [ 3.4827772e-10 1.2034576e-10 3.6217923e-10 ] [ 4.3667365e-10 3.409206e-10 2.8903265e-10 ] [ 3.0435556e-10 3.195773e-10 4.8732728e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3e-06 -1.5e-06 -2.6e-06 ] [ -2e-06 2e-05 -1.26e-05 ] [ 7e-06 -3.43e-05 1.76e-05 ] [ 1.22e-05 5.7e-06 -1.28e-05 ] [ -7.4e-06 1.6e-05 1.67e-05 ] [ -1.64e-05 -8.9e-06 5.7e-06 ] [ 9.6e-06 2.9e-06 -1.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.8065298624e-15 -2.4032649312e-15 -4.16565921408e-15 ] [ -3.2043532416e-15 3.2043532416e-14 -2.018742542208e-14 ] [ 1.12152363456e-14 -5.495465809344e-14 2.819830852608e-14 ] [ 1.954655477376e-14 9.13240673856e-15 -2.050786074624e-14 ] [ -1.185610699392e-14 2.56348259328e-14 2.675634956736e-14 ] [ -2.627569658112e-14 -1.425937192512e-14 9.13240673856e-15 ] [ 1.538089555968e-14 4.646312200320001e-15 -1.890568412544e-14 ] ] } "relaxed-potential-energy" { "source-value" -29.764656 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.768823596935444e-18 } }