{ "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" [ [ 2.648062 2.256008 1.840542 ] [ 2.082623 2.792532 4.589039 ] [ 1.893054 0.6019814 4.219017 ] [ 3.79314 0.2675402 2.698761 ] [ 5.137376 2.400602 1.294264 ] [ 4.215429 1.396012 4.868853 ] [ 4.085322 3.344134 3.585876 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.648062e-10 2.256008e-10 1.840542e-10 ] [ 2.082623e-10 2.792532e-10 4.589039e-10 ] [ 1.893054e-10 6.019814000000001e-11 4.219017e-10 ] [ 3.79314e-10 2.675402e-11 2.698761000000001e-10 ] [ 5.137376e-10 2.400602e-10 1.294264e-10 ] [ 4.215429000000001e-10 1.396012e-10 4.868853e-10 ] [ 4.085322e-10 3.344134e-10 3.585876e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3522122 -0.2707315 0.8293515 ] [ -0.3644203 0.6869596 -0.2696401 ] [ 0.4606906 -0.6809555 -0.5628603 ] [ 0.0839742 1.188752 -0.2553068 ] [ -2.2373031 -0.6228832 1.8290134 ] [ -0.0677971 -0.4034572 -0.3779242 ] [ 0.7726437 0.1023157 -1.1926336 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.166482773200534e-09 -4.337596798141153e-10 1.328767583725411e-09 ] [ -5.838656848049223e-10 1.10063061055412e-09 -4.320110642501741e-10 ] [ 7.381077087423245e-10 -1.091010981905174e-09 -9.018016134364743e-10 ] [ 1.345414999903834e-10 1.904590662329242e-09 -4.090465860912615e-10 ] [ -3.584554720463365e-09 -9.979689005290907e-10 2.930402508609919e-09 ] [ -1.086229285780397e-10 -6.464096933334297e-10 -6.055013176745433e-10 ] [ 1.237911672348409e-09 1.639278224807865e-10 -1.910809671100539e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.083806 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.377998105068276e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0661917 2.1819185 1.8992879 ] [ 2.1373036 3.1807038 4.0186297 ] [ 2.1860795 0.7557316 3.8636485 ] [ 4.2780024 0.1869491 2.7647916 ] [ 4.3831438 2.2816375 1.7662247 ] [ 4.3495315 1.1853396 4.884305 ] [ 4.4547535 3.2865295 3.8994644 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0661917e-10 2.1819185e-10 1.8992879e-10 ] [ 2.1373036e-10 3.1807038e-10 4.0186297e-10 ] [ 2.1860795e-10 7.557315999999999e-11 3.8636485e-10 ] [ 4.2780024e-10 1.869491e-11 2.7647916e-10 ] [ 4.3831438e-10 2.2816375e-10 1.7662247e-10 ] [ 4.349531500000001e-10 1.1853396e-10 4.884305000000001e-10 ] [ 4.4547535e-10 3.2865295e-10 3.8994644e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-07 1.63e-05 -1.01e-05 ] [ 1.65e-05 -3.03e-05 1.7e-06 ] [ -8.4e-06 -3e-06 -5e-06 ] [ 1.1e-06 7.2e-06 8.2e-06 ] [ -1.44e-05 -4.2e-06 1.4e-06 ] [ -2.3e-06 1.96e-05 6.1e-06 ] [ 7.4e-06 -5.6e-06 -2.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.2043532416e-16 2.611547891904e-14 -1.618198387008e-14 ] [ 2.64359142432e-14 -4.854595161024e-14 2.72370025536e-15 ] [ -1.345828361472e-14 -4.8065298624e-15 -8.010883104e-15 ] [ 1.76239428288e-15 1.153567166976e-14 1.313784829056e-14 ] [ -2.307134333952e-14 -6.72914180736e-15 2.24304726912e-15 ] [ -3.68500622784e-15 3.140266176767999e-14 9.77327738688e-15 ] [ 1.185610699392e-14 -8.972189076479999e-15 -3.68500622784e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }