{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.036246 0.517989 0.7873767 ] [ 1.003677 0.2248323 2.613371 ] [ 0.7358478 1.683575 1.603856 ] [ 2.917767 0.7228741 0.0191295 ] [ 2.564023 2.34008 0.1827334 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.036246e-10 5.17989e-11 7.873767e-11 ] [ 1.003677e-10 2.248323e-11 2.613371e-10 ] [ 7.358478000000001e-11 1.683575e-10 1.603856e-10 ] [ 2.917767e-10 7.228741e-11 1.91295e-12 ] [ 2.564023e-10 2.34008e-10 1.827334e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.4621896 -54.0972345 -52.7067367 ] [ 2.4110624 -20.9976607 30.9418722 ] [ -18.4899304 72.3878215 26.6222496 ] [ 14.3565141 -31.1748206 -6.8735524 ] [ -4.7398357 33.8818943 2.0161674 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.035356918159781e-08 -8.667332507991867e-08 -8.444550199513026e-08 ] [ 3.862947840395961e-09 -3.364196134220008e-08 4.957434465105417e-08 ] [ -2.962413445116627e-08 1.159780761934628e-07 4.265354625363584e-08 ] [ 2.300167143671154e-08 -4.994756913446186e-08 -1.101264504785462e-08 ] [ -7.594054007539034e-09 5.428477936311778e-08 3.230256298512531e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 28.751293 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.606464984188776e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1310004 -0.1972945 0.6685746 ] [ 0.6278411 0.1180918 3.0936664 ] [ 0.7883637 2.1126099 1.6003964 ] [ 3.01599 0.6438983 -0.5153884 ] [ 2.6943656 2.8120449 0.3592176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1310004e-10 -1.972945e-11 6.685746000000001e-11 ] [ 6.278411000000001e-11 1.180918e-11 3.0936664e-10 ] [ 7.883637000000001e-11 2.1126099e-10 1.6003964e-10 ] [ 3.01599e-10 6.438983e-11 -5.153884e-11 ] [ 2.6943656e-10 2.8120449e-10 3.592176000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.3e-06 -2.68e-05 -2.3e-06 ] [ 2e-07 6.9e-06 7.1e-06 ] [ -5e-07 1.88e-05 -6.3e-06 ] [ 5.1e-06 3e-06 -1.81e-05 ] [ -3.5e-06 -1.9e-06 1.96e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.0828296242e-15 -4.293833379119999e-14 -3.685006258199999e-15 ] [ 3.204353268e-16 1.10550187746e-14 1.13754541014e-14 ] [ -8.010883169999999e-16 3.012092071919999e-14 -1.00937127942e-14 ] [ 8.1711008334e-15 4.806529901999999e-15 -2.899939707539999e-14 ] [ -5.607618218999999e-15 -3.0441356046e-15 3.140266202639999e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.146626 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.785886372513688e-18 } }