{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.8691182 -8.5557578 -4.9219392 ] [ -5.2345757 2.5873758 -8.8165874 ] [ -7.128764 -1.0574433 8.6093362 ] [ 3.3217735 0.3789524 -1.3718631 ] [ 3.8926189 -2.2530203 4.5524936 ] [ 3.1634625 0.1363136 -2.1360107 ] [ 6.854603 8.7635796 4.0845706 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.801187343951779e-09 -1.370783512038724e-08 -7.885815915239055e-09 ] [ -8.386714806347795e-09 4.145433015983696e-09 -1.412573020751986e-08 ] [ -1.142153901600069e-08 -1.694210933081601e-09 1.379367718024711e-08 ] [ 5.322067841292989e-09 6.071486756760499e-10 -2.197966985758212e-09 ] [ 6.236662995264213e-09 -3.609736450847803e-09 7.293898812261627e-09 ] [ 5.068425658277521e-09 2.183984630170829e-10 -3.422266405318642e-09 ] [ 1.098228467146554e-08 1.404080234963981e-08 6.544203521327029e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.3194191 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.012482553905698e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7904111 1.8397385 2.7497383 ] [ 1.8419498 3.8446158 1.64525 ] [ 1.6386474 2.3383312 4.9791888 ] [ 4.1236802 1.9106506 2.9240556 ] [ 3.8863421 2.7591282 5.0927731 ] [ 4.0680783 4.1056156 2.1125064 ] [ 4.1866642 4.8731062 4.2663378 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7904111e-10 1.8397385e-10 2.7497383e-10 ] [ 1.8419498e-10 3.8446158e-10 1.64525e-10 ] [ 1.6386474e-10 2.3383312e-10 4.9791888e-10 ] [ 4.1236802e-10 1.9106506e-10 2.9240556e-10 ] [ 3.8863421e-10 2.7591282e-10 5.092773099999999e-10 ] [ 4.0680783e-10 4.1056156e-10 2.1125064e-10 ] [ 4.1866642e-10 4.8731062e-10 4.2663378e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.4e-06 1.55e-05 -5.3e-06 ] [ 2.1e-05 -2e-06 -1.26e-05 ] [ 3.4e-05 -1.9e-06 1.29e-05 ] [ -1.92e-05 8.6e-06 9.6e-06 ] [ -2.6e-06 -4.4e-06 -2.15e-05 ] [ -5.5e-06 -1.45e-05 2.21e-05 ] [ -2.24e-05 -1.2e-06 -5.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.65175375232e-15 2.48337376224e-14 -8.491536090240001e-15 ] [ 3.36457090368e-14 -3.2043532416e-15 -2.018742542208e-14 ] [ 5.44740051072e-14 -3.04413557952e-15 2.066807840832e-14 ] [ -3.076179111936e-14 1.377871893888e-14 1.538089555968e-14 ] [ -4.16565921408e-15 -7.04957713152e-15 -3.44467973472e-14 ] [ -8.8119714144e-15 -2.32315610016e-14 3.540810331968e-14 ] [ -3.588875630592e-14 -1.92261194496e-15 -8.17110076608e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.403283 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.307660328536609e-18 } }