{ "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" [ [ 0.0780347 0.0112197 1.661349 ] [ 1.004167 1.583481 0.6099477 ] [ 1.186614 2.044688 2.371218 ] [ 2.525789 0.4216906 0.1723184 ] [ 2.89399 2.924329 1.948013 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.80347e-12 1.12197e-12 1.661349e-10 ] [ 1.004167e-10 1.583481e-10 6.099477e-11 ] [ 1.186614e-10 2.044688e-10 2.371218e-10 ] [ 2.525789e-10 4.216906e-11 1.723184e-11 ] [ 2.89399e-10 2.924329e-10 1.948013e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -118.4959328 -194.7504041 122.6304106 ] [ -208.1902786 368.7582431 -134.9918628 ] [ -297.8042322 -129.1812555 161.2834123 ] [ 293.0470726 -219.530881 -86.1725352 ] [ 331.4433711 174.7042973 -62.7494248 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.898514131920479e-07 -3.120245443403725e-07 1.964755768624245e-07 ] [ -3.335575970507586e-07 5.908158358221029e-07 -2.162808065764012e-07 ] [ -4.771349784061346e-07 -2.069711874076914e-07 2.584045125099072e-07 ] [ 4.695131685136003e-07 -3.517272450818269e-07 -1.38063621252505e-07 ] [ 5.310308202955584e-07 2.799071406873526e-07 -1.005356613832077e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 369.89 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.92629110267712e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.2929807 -0.2781431 1.611025 ] [ 0.53285 2.3276276 -0.0384783 ] [ 0.8128455 2.0964914 3.2338726 ] [ 2.915375 0.0931715 0.3749156 ] [ 3.1345435 2.7462609 1.5815111 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.929807e-11 -2.781431e-11 1.611025e-10 ] [ 5.328500000000001e-11 2.3276276e-10 -3.84783e-12 ] [ 8.128455e-11 2.0964914e-10 3.233872600000001e-10 ] [ 2.915375e-10 9.317150000000001e-12 3.749156e-11 ] [ 3.1345435e-10 2.7462609e-10 1.5815111e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.8e-06 1.63e-05 -2.47e-05 ] [ -1.5e-06 -4.2e-06 -2.02e-05 ] [ 7.3e-06 -9.3e-06 5.18e-05 ] [ 1.25e-05 -1.39e-05 1.54e-05 ] [ -9.5e-06 1.1e-05 -2.23e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.409915426304e-14 2.611547891904e-14 -3.957376253376001e-14 ] [ -2.4032649312e-15 -6.72914180736e-15 -3.236396774016e-14 ] [ 1.169588933184e-14 -1.490024257344e-14 8.299274895744e-14 ] [ 2.002720776e-14 -2.227025502912e-14 2.467351996032e-14 ] [ -1.52206778976e-14 1.76239428288e-14 -3.572853864384e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.044174 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.929689399964722e-18 } }