{ "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" [ [ 0.3247182 0.2574581 0.2093782 ] [ 0.0650872 0.6230634 2.300965 ] [ 0.7071473 2.551012 0.1142943 ] [ 0.540381 2.928346 2.93806 ] [ 2.649535 1.391538 0.3805226 ] [ 1.868471 1.381011 2.58095 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.247182e-11 2.574581e-11 2.093782e-11 ] [ 6.50872e-12 6.230634000000001e-11 2.300965e-10 ] [ 7.071473000000001e-11 2.551012e-10 1.142943e-11 ] [ 5.40381e-11 2.928346e-10 2.93806e-10 ] [ 2.649535e-10 1.391538e-10 3.805226e-11 ] [ 1.868471e-10 1.381011e-10 2.58095e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.2125481 -7.0054252 -3.8982004 ] [ -9.7390711 -16.0396876 -1.0263742 ] [ -1.6763235 4.6726606 -13.4728677 ] [ -2.2471388 19.4249433 16.6170032 ] [ 9.4467506 0.649227 -1.8442062 ] [ 10.4283309 -1.7017182 3.6246454 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.95359932141546e-09 -1.122392847420317e-08 -6.245605544073209e-09 ] [ -1.560371202472894e-08 -2.569841247765566e-08 -1.644432747432304e-09 ] [ -2.685766320597629e-09 7.486427570253302e-09 -2.158591364407147e-08 ] [ -3.600313249052567e-09 3.11221900156256e-08 2.662337403479879e-08 ] [ 1.513536295384837e-08 1.040176320992122e-09 -2.954744057574409e-09 ] [ 1.670802796194622e-08 -2.726453115229859e-09 5.807322118570265e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.113529 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.780583633838281e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1263327 0.5009614 0.167734 ] [ -0.1543093 0.584796 2.4933288 ] [ 0.9299155 2.4380103 -1.0222517 ] [ 0.3603561 2.6081224 3.6996749 ] [ 2.5868127 1.4584388 0.4300371 ] [ 2.3062319 1.5420995 2.7556471 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.263327e-11 5.009614e-11 1.67734e-11 ] [ -1.543093e-11 5.84796e-11 2.4933288e-10 ] [ 9.299155000000001e-11 2.4380103e-10 -1.0222517e-10 ] [ 3.603561e-11 2.6081224e-10 3.699674900000001e-10 ] [ 2.5868127e-10 1.4584388e-10 4.300371e-11 ] [ 2.3062319e-10 1.5420995e-10 2.7556471e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.96e-05 1.1e-06 3.36e-05 ] [ -4.72e-05 -5.73e-05 -7.3e-06 ] [ 3.89e-05 1.52e-05 -5.3e-06 ] [ 4.59e-05 -1.7e-05 -3.5e-05 ] [ -2.75e-05 4.2e-06 1.15e-05 ] [ 9.5e-06 5.38e-05 2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.140266176767999e-14 1.76239428288e-15 5.383313445888e-14 ] [ -7.562273650176e-14 -9.180472037184001e-14 -1.169588933184e-14 ] [ 6.232467054911999e-14 2.435308463616e-14 -8.491536090240001e-15 ] [ 7.353990689472e-14 -2.72370025536e-14 -5.6076181728e-14 ] [ -4.4059857072e-14 6.72914180736e-15 1.84250311392e-14 ] [ 1.52206778976e-14 8.619710219904001e-14 4.005441552e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.215571 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.078673861152248e-18 } }