{ "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" [ [ 0.9991242 0.9479007 1.187372 ] [ 1.085399 0.1016804 2.948528 ] [ 2.969901 0.5974891 1.991295 ] [ 2.924101 2.886024 0.3835606 ] [ 2.264584 2.996261 2.274235 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.991242000000001e-11 9.479007e-11 1.187372e-10 ] [ 1.085399e-10 1.016804e-11 2.948528e-10 ] [ 2.969901e-10 5.974891e-11 1.991295e-10 ] [ 2.924101e-10 2.886024e-10 3.835606e-11 ] [ 2.264584e-10 2.996261e-10 2.274235e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6846832 15.7243762 -15.5667354 ] [ -8.1052732 -5.8838567 10.9398981 ] [ 20.9315145 12.3019198 -11.84483 ] [ -8.827386 -27.35481 13.1740145 ] [ -2.3141721 5.2123707 3.2976529 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.699160036494531e-09 2.519322792430395e-08 -2.494065952005974e-08 ] [ -1.29860792262368e-08 -9.42697764487744e-09 1.752764896975434e-08 ] [ 3.35359831698362e-08 1.970984829451661e-08 -1.897750970335046e-08 ] [ -1.414303147197723e-08 -4.382723704842605e-08 2.11070980339802e-08 ] [ -3.70771243512764e-09 8.35113847448293e-09 5.28342237989332e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.4234324 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.029147321656924e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7656683 1.5509081 1.3499515 ] [ 1.2096481 -0.4855391 2.5607737 ] [ 3.1233126 0.9668206 2.3637432 ] [ 2.9040356 2.1603049 0.1447188 ] [ 2.2404446 3.3368607 2.3658035 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.656683e-11 1.5509081e-10 1.3499515e-10 ] [ 1.2096481e-10 -4.855391e-11 2.5607737e-10 ] [ 3.1233126e-10 9.668206000000001e-11 2.3637432e-10 ] [ 2.9040356e-10 2.1603049e-10 1.447188e-11 ] [ 2.2404446e-10 3.3368607e-10 2.3658035e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0001075 -0.0001199 -4.33e-05 ] [ -5e-05 9.04e-05 4.82e-05 ] [ 0.000115 -0.0001132 3.32e-05 ] [ 7.25e-05 6.25e-05 -0.0001584 ] [ -3e-05 8.01e-05 0.0001203 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.72233986736e-13 -1.9210097683392e-13 -6.937424768064e-14 ] [ -8.010883104e-14 1.4483676652032e-13 7.722491312256001e-14 ] [ 1.84250311392e-13 -1.8136639347456e-13 5.319226381056e-14 ] [ 1.16157805008e-13 1.001360388e-13 -2.5378477673472e-13 ] [ -4.8065298624e-14 1.2833434732608e-13 1.9274184748224e-13 ] ] } "relaxed-potential-energy" { "source-value" -16.808941 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.693089229060658e-18 } }