{ "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" [ [ 2.229662 1.543061 1.287817 ] [ 2.031016 3.038651 3.160637 ] [ 0.5900505 3.664885 1.130231 ] [ 2.845897 4.610953 2.071813 ] [ 3.999567 2.736591 1.793936 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.229662e-10 1.543061e-10 1.287817e-10 ] [ 2.031016e-10 3.038651e-10 3.160637e-10 ] [ 5.900505000000001e-11 3.664885e-10 1.130231e-10 ] [ 2.845897e-10 4.610953e-10 2.071813e-10 ] [ 3.999567e-10 2.736591e-10 1.793936e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.0959126 -0.9105495 -1.1866607 ] [ -3.4169351 -4.2196514 3.7063133 ] [ 1.7974516 -0.9136779 0.7975805 ] [ 0.5555199 6.6402271 -3.2708781 ] [ 4.1598761 -0.5963483 -0.0463549 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.960198787760143e-09 -1.45886112098113e-09 -1.901240030362163e-09 ] [ -5.474533532010911e-09 -6.76062682100599e-09 5.938168518620097e-09 ] [ 2.879834930539554e-09 -1.46387337032164e-09 1.277864830305975e-09 ] [ 8.900409961691539e-10 1.063881661642258e-08 -5.240524421306725e-09 ] [ 6.664856232844683e-09 -9.554553041138247e-10 -7.426873703952191e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -12.090734 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.937149134311167e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.060258 1.5369952 1.1878692 ] [ 1.9987138 2.8945802 3.2647606 ] [ 0.7982215 3.6087163 1.2131346 ] [ 2.7884705 4.8127793 1.902005 ] [ 4.0505286 2.74107 1.8766646 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.060258e-10 1.5369952e-10 1.1878692e-10 ] [ 1.9987138e-10 2.8945802e-10 3.2647606e-10 ] [ 7.982215e-11 3.6087163e-10 1.2131346e-10 ] [ 2.7884705e-10 4.8127793e-10 1.902005e-10 ] [ 4.0505286e-10 2.74107e-10 1.8766646e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.63e-05 5.65e-05 -9.5e-06 ] [ -1.06e-05 1.11e-05 -2.43e-05 ] [ -3.2e-06 -1.11e-05 4.22e-05 ] [ 3.5e-06 -5.58e-05 -2.99e-05 ] [ -1.61e-05 -8e-07 2.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.213724512704e-14 9.052297907519999e-14 -1.52206778976e-14 ] [ -1.698307218048e-14 1.778416049088e-14 -3.893289188544e-14 ] [ -5.126965186560001e-15 -1.778416049088e-14 6.761185339776e-14 ] [ 5.6076181728e-15 -8.940145544064e-14 -4.790508096192e-14 ] [ -2.579504359488e-14 -1.28174129664e-15 3.44467973472e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.867937 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.221888444012729e-18 } }