{ "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" [ [ 0.3527209 0.4565602 1.167471 ] [ 0.6414148 2.926013 0.4472085 ] [ 0.2560781 2.125953 2.651252 ] [ 2.793307 0.1807352 2.367537 ] [ 2.546309 2.149048 0.8335699 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.527209e-11 4.565602e-11 1.167471e-10 ] [ 6.414148e-11 2.926013000000001e-10 4.472085e-11 ] [ 2.560781e-11 2.125953e-10 2.651252e-10 ] [ 2.793307e-10 1.807352e-11 2.367537e-10 ] [ 2.546309e-10 2.149048e-10 8.335699e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2231391 3.2885059 3.1441442 ] [ -2.0319014 0.3427331 1.155755 ] [ 0.2393071 -2.9079666 -4.4729439 ] [ 0.0 0.0 0.0 ] [ 2.0157333 -0.7232725 0.1730448 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.575082492063533e-10 5.268767270342863e-09 5.037474329663919e-09 ] [ -3.25546491885079e-09 5.491189599943086e-10 1.851723640372704e-09 ] [ 3.834122408114477e-10 -4.659076100587266e-09 -7.166446142729973e-09 ] [ 0.0 0.0 0.0 ] [ 3.229560767028033e-09 -1.158810289967568e-09 2.772483329110118e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.6641415 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.074955088203045e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2452135 0.1171906 1.5092438 ] [ 0.8405098 3.3402574 0.6731176 ] [ -0.1006785 2.145655 2.2849328 ] [ 3.042365 0.2933929 2.1940125 ] [ 2.5624201 1.9418136 0.8057318 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.452135e-11 1.171906e-11 1.5092438e-10 ] [ 8.405098000000001e-11 3.3402574e-10 6.731176e-11 ] [ -1.006785e-11 2.145655e-10 2.2849328e-10 ] [ 3.042365e-10 2.933929e-11 2.1940125e-10 ] [ 2.5624201e-10 1.9418136e-10 8.057318e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.1565569 -0.8539036 0.2194269 ] [ 1.2131188 -0.5530793 0.2917049 ] [ -0.3372832 0.4984405 -0.2153078 ] [ -0.0334087 0.7601435 -0.7895606 ] [ -0.68587 0.148399 0.4937367 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.508318050049235e-10 -1.368104384336955e-09 3.515606491546196e-10 ] [ 1.943630579612951e-09 -8.861307239084295e-10 4.673627709528019e-10 ] [ -5.403872576286105e-10 7.985897159598625e-10 -3.449611234358822e-10 ] [ -5.352663807132096e-11 1.217884144153085e-09 -1.26501553402482e-09 ] [ -1.098884878908096e-09 2.377614083500992e-10 7.910533975709433e-10 ] ] } "relaxed-potential-energy" { "source-value" -9.431129 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.511033439154888e-18 } }