{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.711766 1.445938 2.481154 ] [ 1.786648 3.09956 4.150451 ] [ 2.046679 3.825969 2.202277 ] [ 4.127996 2.712807 1.52252 ] [ 4.061478 2.056421 3.562426 ] [ 4.12269 4.38488 2.772359 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.711766e-10 1.445938e-10 2.481154e-10 ] [ 1.786648e-10 3.09956e-10 4.150451000000001e-10 ] [ 2.046679e-10 3.825969e-10 2.202277e-10 ] [ 4.127996e-10 2.712807e-10 1.52252e-10 ] [ 4.061478e-10 2.056421e-10 3.562426e-10 ] [ 4.122690000000001e-10 4.38488e-10 2.772359e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.1446788 -8.0994329 -2.1613691 ] [ -1.6936458 1.2750512 6.9086698 ] [ -7.2856452 8.396649 -2.6203267 ] [ 7.6830822 -2.7886072 -5.6700236 ] [ 1.294016 -8.6418244 5.3386661 ] [ 3.1468717 9.8581643 -1.7956166 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.038330853285399e-09 -1.297672203411834e-08 -3.462895040939537e-09 ] [ -2.713519704676113e-09 2.042857222962985e-09 1.106890923438701e-08 ] [ -1.167289040688374e-08 1.34529147208637e-08 -4.198226177598016e-09 ] [ 1.230965467652463e-08 -4.46784126043455e-09 -9.084379251304252e-09 ] [ 2.073242182141133e-09 -1.384572901473899e-08 8.553486011677515e-09 ] [ 5.041844266397152e-09 1.57945203654652e-08 -2.876894936440385e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.4923098 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.799650355750725e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.5710791 0.8273795 2.489097 ] [ 1.675388 2.881119 4.0340349 ] [ 2.0150325 4.6781608 2.6256205 ] [ 4.689695 2.4586689 1.4140093 ] [ 3.9017195 2.0263319 3.7826261 ] [ 4.004343 4.6539149 2.3457993 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5710791e-10 8.273795000000001e-11 2.489097e-10 ] [ 1.675388e-10 2.881119e-10 4.0340349e-10 ] [ 2.0150325e-10 4.6781608e-10 2.6256205e-10 ] [ 4.689695e-10 2.4586689e-10 1.4140093e-10 ] [ 3.9017195e-10 2.0263319e-10 3.7826261e-10 ] [ 4.004343000000001e-10 4.653914900000001e-10 2.3457993e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.94e-05 -1e-05 -3.19e-05 ] [ 1.11e-05 -1.49e-05 5.3e-06 ] [ 7.93e-05 -2.94e-05 -1.2e-06 ] [ 1.61e-05 2.17e-05 -5.22e-05 ] [ 3.7e-06 5.87e-05 7.53e-05 ] [ -6.08e-05 -2.62e-05 4.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.914752506752001e-14 -1.6021766208e-14 -5.110943420352001e-14 ] [ 1.778416049088e-14 -2.387243164992e-14 8.491536090240001e-15 ] [ 1.2705260602944e-13 -4.710399265152e-14 -1.92261194496e-15 ] [ 2.579504359488e-14 3.476723267136e-14 -8.363361960576001e-14 ] [ 5.928053496960001e-15 9.404776764096e-14 1.2064389954624e-13 ] [ -9.741233854464e-14 -4.197702746496e-14 7.53023011776e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.058104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.252356556157496e-18 } }