{ "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" [ [ 2.072399 2.177963 4.557602 ] [ 2.377271 3.879759 3.040396 ] [ 5.261436 0.7705425 2.642102 ] [ 4.650297 3.074511 2.607434 ] [ 3.240336 1.703827 1.872622 ] [ 3.483569 0.4560924 3.818111 ] [ 3.60342 3.885532 5.130911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.072399e-10 2.177963e-10 4.557602e-10 ] [ 2.377271e-10 3.879759e-10 3.040396e-10 ] [ 5.261436e-10 7.705425e-11 2.642102e-10 ] [ 4.650297000000001e-10 3.074511e-10 2.607434e-10 ] [ 3.240336e-10 1.703827e-10 1.872622e-10 ] [ 3.483569e-10 4.560924000000001e-11 3.818111e-10 ] [ 3.60342e-10 3.885532e-10 5.130911000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2025836 -0.9414298 1.0439698 ] [ 0.5592351 0.6727607 -0.5384595 ] [ 3.8477873 0.0575646 -1.3757279 ] [ 3.688142 4.8826885 1.467483 ] [ -4.4739381 -2.7270094 -3.483141 ] [ -3.4820547 -2.1229195 3.0832486 ] [ 0.0634121 0.1783448 -0.1973731 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.245747076774989e-10 -1.50833681568442e-09 1.672624006381252e-09 ] [ 8.959934027507501e-10 1.077881464933043e-09 -8.627072221476577e-10 ] [ 6.164834853871155e-09 9.222865630570369e-11 -2.20415907796228e-09 ] [ 5.909054886590554e-09 7.822929361349022e-09 2.351166954021447e-09 ] [ -7.168039026726373e-09 -4.369150705381835e-09 -5.580607077149933e-09 ] [ -5.578866632686758e-09 -3.401291990740425e-09 4.939908823034331e-09 ] [ 1.015973840958317e-10 2.857398690012518e-10 -3.162265663948205e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.64663 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.98751946427079e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2279862 2.1312102 4.895505 ] [ 2.3013332 3.5614413 2.9375833 ] [ 5.2732481 0.9328507 2.7984136 ] [ 4.7874682 3.2933358 2.8166343 ] [ 3.217194 1.7177874 1.668042 ] [ 3.1175604 0.3405038 3.6624224 ] [ 3.7639378 3.9710977 4.8905776 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2279862e-10 2.1312102e-10 4.895505e-10 ] [ 2.3013332e-10 3.5614413e-10 2.9375833e-10 ] [ 5.2732481e-10 9.328507e-11 2.7984136e-10 ] [ 4.7874682e-10 3.2933358e-10 2.8166343e-10 ] [ 3.217194e-10 1.7177874e-10 1.668042e-10 ] [ 3.1175604e-10 3.405038e-11 3.6624224e-10 ] [ 3.7639378e-10 3.9710977e-10 4.8905776e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.4e-06 -5e-06 -4.8e-06 ] [ -3.17e-05 1.01e-05 7.4e-06 ] [ -3e-06 -5.1e-06 2.98e-05 ] [ -8.4e-06 1.2e-05 7.7e-06 ] [ 1.1e-06 -2.56e-05 -4.89e-05 ] [ 1.2e-06 3.6e-06 -6.6e-06 ] [ 3.43e-05 1.01e-05 1.55e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.025393037312e-14 -8.010883104e-15 -7.69044777984e-15 ] [ -5.078899887936e-14 1.618198387008e-14 1.185610699392e-14 ] [ -4.8065298624e-15 -8.17110076608e-15 4.774486329984001e-14 ] [ -1.345828361472e-14 1.92261194496e-14 1.233675998016e-14 ] [ 1.76239428288e-15 -4.101572149248001e-14 -7.834643675712001e-14 ] [ 1.92261194496e-15 5.76783583488e-15 -1.057436569728e-14 ] [ 5.495465809344e-14 1.618198387008e-14 2.48337376224e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.811813 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.494637684586151e-18 } }