{ "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" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.3632084 -2.0976574 -0.5337552 ] [ -3.4981232 5.4887208 -1.1469302 ] [ -4.7660327 -3.0447417 -0.1264405 ] [ 1.4246226 -1.3244262 -2.1722986 ] [ 1.5814699 1.3496042 3.8247843 ] [ -1.658551 -0.9250571 0.600009 ] [ 4.553406 0.5535574 -0.4453688 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.786277248558175e-09 -3.360817644728115e-09 -8.551701026704281e-10 ] [ -5.604611207718083e-09 8.793900143858673e-09 -1.837584752129468e-09 ] [ -7.6360261659083e-09 -4.878213968114848e-09 -2.025800130222624e-10 ] [ 2.28249702318331e-09 -2.121964693614985e-09 -3.480406030316571e-09 ] [ 2.533794100278914e-09 2.162304296573487e-09 6.127979985062894e-09 ] [ -2.657291636604461e-09 -1.482104858525048e-09 9.613203920695873e-10 ] [ 7.295360638210445e-09 8.868967245508339e-10 -7.13559478993751e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.165619 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.070670668496028e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5844641 2.3788275 3.8890697 ] [ 1.4903526 5.345451 2.8114981 ] [ 1.0567082 3.1087403 2.2296723 ] [ 2.8149513 3.2628415 0.6758747 ] [ 3.0206586 4.6143274 4.4736406 ] [ 4.345244 2.5317061 2.338026 ] [ 3.8022588 4.9017093 2.1841086 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5844641e-10 2.3788275e-10 3.8890697e-10 ] [ 1.4903526e-10 5.345451e-10 2.8114981e-10 ] [ 1.0567082e-10 3.1087403e-10 2.2296723e-10 ] [ 2.8149513e-10 3.2628415e-10 6.758747000000001e-11 ] [ 3.0206586e-10 4.6143274e-10 4.4736406e-10 ] [ 4.345244e-10 2.5317061e-10 2.338026e-10 ] [ 3.8022588e-10 4.901709300000001e-10 2.1841086e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.81e-05 -3.98e-05 -1.14e-05 ] [ -1.18e-05 6.72e-05 -1.46e-05 ] [ 2.3e-06 -3.02e-05 3.53e-05 ] [ 9e-07 -3.6e-06 -7.2e-06 ] [ -2.3e-06 5.7e-06 -7.2e-06 ] [ 2.5e-05 1.8e-06 -7.9e-06 ] [ 4e-06 -1e-06 1.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.899939683648e-14 -6.376662950784e-14 -1.826481347712e-14 ] [ -1.890568412544e-14 1.0766626891776e-13 -2.339177866368e-14 ] [ 3.68500622784e-15 -4.838573394816e-14 5.655683471424e-14 ] [ 1.44195895872e-15 -5.76783583488e-15 -1.153567166976e-14 ] [ -3.68500622784e-15 9.13240673856e-15 -1.153567166976e-14 ] [ 4.005441552e-14 2.88391791744e-15 -1.265719530432e-14 ] [ 6.4087064832e-15 -1.6021766208e-15 2.08282960704e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.906204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.669978452007545e-18 } }