{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.836172 2.264881 3.605889 ] [ 1.711544 3.356754 1.507539 ] [ 2.817956 4.908146 3.003841 ] [ 0.8092812 3.284881 3.852119 ] [ 4.796821 1.314646 2.655969 ] [ 4.297416 3.615744 1.848977 ] [ 4.570903 3.768738 4.135906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.836172e-10 2.264881e-10 3.605889e-10 ] [ 1.711544e-10 3.356754e-10 1.507539e-10 ] [ 2.817956e-10 4.908146e-10 3.003841e-10 ] [ 8.092812000000001e-11 3.284881e-10 3.852119e-10 ] [ 4.796821e-10 1.314646e-10 2.655969e-10 ] [ 4.297416000000001e-10 3.615744e-10 1.848977e-10 ] [ 4.570903000000001e-10 3.768738e-10 4.135906000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4507709 -2.4375303 0.1270266 ] [ 0.0166368 -0.5381078 -0.0884508 ] [ -3.6571134 1.930539 2.2407476 ] [ -0.4042117 2.3510853 -0.8073236 ] [ 0.4300971 -0.1895347 -0.6287672 ] [ 1.4653395 -2.076677 -3.6018978 ] [ 1.6984809 0.9602255 2.7586652 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.222145973169746e-10 -3.905354059151611e-09 2.035190487397133e-10 ] [ 2.665509200492544e-11 -8.621437366301223e-10 -1.417138038510566e-10 ] [ -5.859341589094399e-09 3.093064451342612e-09 3.59007341783371e-09 ] [ -6.476185355938234e-10 3.766853901166554e-09 -1.293474997340091e-09 ] [ 6.890915182938797e-10 -3.036680651703418e-10 -1.007396107765878e-09 ] [ 2.347732688434762e-09 -3.327203338353082e-09 -5.770876445670955e-09 ] [ 2.721266388855343e-09 1.53845084679599e-09 4.419868888054556e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.61666 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.982717740938253e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7924827 1.8327719 3.9106268 ] [ 2.0859071 3.0171909 1.6885408 ] [ 2.6845725 5.123831 2.9497825 ] [ 1.0518948 3.5528559 3.8112054 ] [ 4.520169 1.4728677 2.3227353 ] [ 4.4596319 3.7598253 1.741597 ] [ 4.2454352 3.7544473 4.1857522 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7924827e-10 1.8327719e-10 3.9106268e-10 ] [ 2.0859071e-10 3.0171909e-10 1.6885408e-10 ] [ 2.6845725e-10 5.123831e-10 2.9497825e-10 ] [ 1.0518948e-10 3.5528559e-10 3.8112054e-10 ] [ 4.520169000000001e-10 1.4728677e-10 2.3227353e-10 ] [ 4.4596319e-10 3.7598253e-10 1.741597e-10 ] [ 4.2454352e-10 3.7544473e-10 4.1857522e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.75e-05 2.77e-05 7.8e-06 ] [ -2.25e-05 7.3e-05 3.6e-05 ] [ -6.61e-05 -3.47e-05 -1.37e-05 ] [ 4.03e-05 1.21e-05 -2.28e-05 ] [ 6.71e-05 -6.43e-05 -1.73e-05 ] [ -1.2e-06 -6.4e-06 2.43e-05 ] [ -1e-07 -7.4e-06 -1.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.8038090864e-14 4.438029239616e-14 1.249697764224e-14 ] [ -3.604897396800001e-14 1.169588933184e-13 5.76783583488e-14 ] [ -1.0590387463488e-13 -5.559552874176001e-14 -2.194981970496e-14 ] [ 6.456771781824e-14 1.938633711168e-14 -3.652962695424e-14 ] [ 1.0750605125568e-13 -1.0301995671744e-13 -2.771765553984e-14 ] [ -1.92261194496e-15 -1.025393037312e-14 3.893289188544e-14 ] [ -1.6021766208e-16 -1.185610699392e-14 -2.291112567744e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.073967 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.376421723491071e-18 } }