{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3095615 1.0929902 1.3078138 ] [ 2.613063 2.2703463 1.1262214 ] [ -5.2356072 -2.3324284 -1.440898 ] [ 0.4506415 0.6653979 -0.2024839 ] [ 0.258161 -0.8078904 -3.2401064 ] [ 4.251263 -3.5248214 2.8295845 ] [ -1.0279598 2.6364058 -0.3801316 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.098148818799779e-09 1.751163345203516e-09 2.095348694719607e-09 ] [ 4.18658844727751e-09 3.637495762979783e-09 1.804405596924645e-09 ] [ -8.38836745153215e-09 -3.736962252169951e-09 -2.308573088557478e-09 ] [ 7.220072756622431e-10 1.066084958909416e-09 -3.244149706684051e-10 ] [ 4.136195186023487e-10 -1.29438311104876e-09 -5.191222722984454e-09 ] [ 6.81127418747207e-09 -5.647386439575525e-09 4.533494132478058e-09 ] [ -1.646973158682244e-09 4.22398773570152e-09 -6.090379623472973e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.449535 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.955941364163133e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0642193 1.5205975 2.3410213 ] [ 1.3542533 1.5454086 4.6404574 ] [ 2.4184479 3.5752632 5.3852496 ] [ 1.096046 3.5629778 3.2400894 ] [ 4.1977 2.4752003 2.345751 ] [ 4.6438245 3.0173147 4.647745 ] [ 3.3167419 4.5566148 3.2450075 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0642193e-10 1.5205975e-10 2.3410213e-10 ] [ 1.3542533e-10 1.5454086e-10 4.6404574e-10 ] [ 2.4184479e-10 3.575263200000001e-10 5.3852496e-10 ] [ 1.096046e-10 3.5629778e-10 3.2400894e-10 ] [ 4.1977e-10 2.4752003e-10 2.345751e-10 ] [ 4.6438245e-10 3.0173147e-10 4.647745e-10 ] [ 3.3167419e-10 4.5566148e-10 3.2450075e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.38e-05 -5.4e-06 4.3e-06 ] [ -1.3e-06 1.6e-06 1.61e-05 ] [ -1.3e-05 -4.9e-06 -8.9e-06 ] [ -1.39e-05 2.25e-05 2.2e-06 ] [ -2.9e-06 2.95e-05 1.22e-05 ] [ 1.37e-05 -3.07e-05 -4.7e-06 ] [ -6.5e-06 -1.27e-05 -2.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.813180357504e-14 -8.65175375232e-15 6.889359469440001e-15 ] [ -2.08282960704e-15 2.56348259328e-15 2.579504359488e-14 ] [ -2.08282960704e-14 -7.850665441919999e-15 -1.425937192512e-14 ] [ -2.227025502912e-14 3.604897396800001e-14 3.52478856576e-15 ] [ -4.646312200320001e-15 4.72642103136e-14 1.954655477376e-14 ] [ 2.194981970496e-14 -4.918682225856e-14 -7.53023011776e-15 ] [ -1.04141480352e-14 -2.034764308416e-14 -3.396614436096001e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.946238 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.516174943811256e-18 } }