{ "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" [ [ 0.6628403 2.876785 2.898563 ] [ 2.674482 0.2424727 1.042802 ] [ 2.274992 1.1385 2.859862 ] [ 1.854823 2.68523 0.2527791 ] [ 2.130586 2.70202 1.965626 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.628403e-11 2.876785e-10 2.898563e-10 ] [ 2.674482e-10 2.424727e-11 1.042802e-10 ] [ 2.274992e-10 1.1385e-10 2.859862e-10 ] [ 1.854823e-10 2.68523e-10 2.527791e-11 ] [ 2.130586e-10 2.70202e-10 1.965626e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -25.3308652 13.3635664 11.0949316 ] [ 0.8744891 -2.5002706 -2.6461076 ] [ 11.4619438 -22.9391995 9.9965353 ] [ -1.5251776 0.675958 -17.0550921 ] [ 14.51961 11.3999457 -1.3902671 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.058452000807632e-08 2.141079365658842e-08 1.777604001889514e-08 ] [ 1.401085991164433e-09 -4.005875100993588e-09 -4.239531732841199e-09 ] [ 1.836405838528351e-08 -3.675264913876705e-08 1.601621514666191e-08 ] [ -2.443603893287854e-09 1.083004104242726e-09 -2.732526982821077e-08 ] [ 2.326297968513389e-08 1.826472647892949e-08 -2.227453444287415e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 2.5632807 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.106828410087859e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3908079 3.5322288 3.490277 ] [ 3.3592259 -1.283013 1.8205788 ] [ 2.4397059 0.7134155 1.9243457 ] [ 1.8490388 3.9500862 -0.0153844 ] [ 1.5589448 2.7322903 1.7998149 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.908079e-11 3.5322288e-10 3.490277e-10 ] [ 3.3592259e-10 -1.283013e-10 1.8205788e-10 ] [ 2.4397059e-10 7.134155e-11 1.9243457e-10 ] [ 1.8490388e-10 3.9500862e-10 -1.53844e-12 ] [ 1.5589448e-10 2.7322903e-10 1.7998149e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0002057 -0.0007011 -0.0006042 ] [ -0.0010748 0.0020393 0.0007395 ] [ 0.0010771 -0.0031814 -0.0008174 ] [ -0.0005441 -0.0001561 0.0004488 ] [ 0.000336 0.0019993 0.0002334 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.2956773089856e-13 -1.12328602884288e-12 -9.680351142873602e-13 ] [ -1.72201943203584e-12 3.26731878279744e-12 1.1848096110816e-12 ] [ 1.72570443826368e-12 -5.09716470141312e-12 -1.30961916984192e-12 ] [ -8.717442993772802e-13 -2.5009977050688e-13 7.190568674150401e-13 ] [ 5.383313445888e-13 3.20323171796544e-12 3.7394802329472e-13 ] ] } "relaxed-potential-energy" { "source-value" -10.275112 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.646254422250153e-18 } }