{ "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" [ [ 0.5308739 0.2525778 2.81745 ] [ 0.4737551 1.568741 0.832487 ] [ 2.312512 2.941662 0.559243 ] [ 2.76942 1.516894 1.016982 ] [ 2.535548 1.814472 2.698768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.308739e-11 2.525778e-11 2.81745e-10 ] [ 4.737551e-11 1.568741e-10 8.32487e-11 ] [ 2.312512e-10 2.941662e-10 5.592430000000001e-11 ] [ 2.76942e-10 1.516894e-10 1.016982e-10 ] [ 2.535548e-10 1.814472e-10 2.698768e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 99.9358957 73.5999328 26.3235421 ] [ -88.0777817 1119.8220381 -363.90143 ] [ -1738.5814916 -153.6685641 -105.9084238 ] [ 1876.6177235 -985.5232363 80.2446681 ] [ -149.8943458 -54.2301704 363.2416436 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.601149556692473e-07 1.179200916246111e-07 4.217496372926453e-08 ] [ -1.411161626516661e-07 1.794152688900427e-06 -5.830343634216877e-07 ] [ -2.785514619197111e-06 -2.462041807529262e-07 -1.696840005581383e-07 ] [ 3.006673042770619e-06 -1.578982288455014e-06 1.285661311736755e-07 ] [ -2.401572164308707e-07 -8.68863111568802e-08 5.819772690768858e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 310.89567 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.981097739819519e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.1681482 0.5601078 3.0636795 ] [ -0.465518 1.8707027 0.65133 ] [ 1.9258713 2.9011098 -0.4243914 ] [ 4.0537061 1.9303355 1.1457779 ] [ 2.9399014 0.8320909 3.4885339 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.681482e-11 5.601078000000001e-11 3.0636795e-10 ] [ -4.65518e-11 1.8707027e-10 6.5133e-11 ] [ 1.9258713e-10 2.9011098e-10 -4.243914e-11 ] [ 4.0537061e-10 1.9303355e-10 1.1457779e-10 ] [ 2.9399014e-10 8.320909e-11 3.4885339e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.27e-05 4.1e-06 1.54e-05 ] [ 6.3e-05 4.19e-05 -4.15e-05 ] [ -6.83e-05 -4.85e-05 2.55e-05 ] [ -1.53e-05 7.7e-06 4.17e-05 ] [ 8e-06 -5.1e-06 -4.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.034764308416e-14 6.568924145279999e-15 2.467351996032e-14 ] [ 1.009371271104e-13 6.713120041152e-14 -6.64903297632e-14 ] [ -1.0942866320064e-13 -7.77055661088e-14 4.08555038304e-14 ] [ -2.451330229824e-14 1.233675998016e-14 6.681076508736e-14 ] [ 1.28174129664e-14 -8.17110076608e-15 -6.584945911488e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.190057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.953062433161938e-18 } }