{ "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" [ [ 0.2245113 0.4062398 2.51204 ] [ 0.3734712 1.938106 1.147246 ] [ 0.9603572 2.15083 2.976354 ] [ 2.053947 0.3264748 1.110732 ] [ 2.246066 2.745531 0.3277405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.245113e-11 4.062398e-11 2.51204e-10 ] [ 3.734712e-11 1.938106e-10 1.147246e-10 ] [ 9.603572000000001e-11 2.15083e-10 2.976354000000001e-10 ] [ 2.053947e-10 3.264748e-11 1.110732e-10 ] [ 2.246066e-10 2.745531e-10 3.277405e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.0794094 -18.1627879 4.8193569 ] [ -8.0425778 6.9917469 -17.586006 ] [ 6.2670335 15.5563465 19.3023609 ] [ 6.0228261 -5.9056312 -4.6254107 ] [ 2.8321277 1.5203257 -1.9103011 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.134246422975176e-08 -2.909999414192913e-08 7.721460952471163e-09 ] [ -1.28856301221251e-08 1.120201342173087e-08 -2.817588766644852e-08 ] [ 1.00408945554704e-08 2.492401466736391e-08 3.092579136022405e-08 ] [ 9.649631168564043e-09 -9.461864239707049e-09 -7.410724885138163e-09 ] [ 4.537568788060076e-09 2.435830292541394e-09 -3.060639761108523e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.1274058 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.806303214914321e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.0185184 -0.0119433 2.8618968 ] [ 0.5977696 3.3762588 1.2893043 ] [ -0.0046989 2.0594368 3.105938 ] [ 2.2534001 0.0247058 0.8944428 ] [ 1.9933636 2.1187235 -0.0774694 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0185184e-10 -1.19433e-12 2.8618968e-10 ] [ 5.977696e-11 3.3762588e-10 1.2893043e-10 ] [ -4.6989e-13 2.0594368e-10 3.105938e-10 ] [ 2.2534001e-10 2.47058e-12 8.944428e-11 ] [ 1.9933636e-10 2.1187235e-10 -7.74694e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.42e-05 1.11e-05 -1.32e-05 ] [ 1.22e-05 -1.13e-05 4.8e-06 ] [ -1.77e-05 2.7e-06 5.7e-06 ] [ -4.9e-06 -1.22e-05 9.5e-06 ] [ -3.8e-06 9.8e-06 -6.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.275090801536e-14 1.778416049088e-14 -2.114873139456e-14 ] [ 1.954655477376e-14 -1.810459581504e-14 7.69044777984e-15 ] [ -2.835852618816e-14 4.32587687616e-15 9.13240673856e-15 ] [ -7.850665441919999e-15 -1.954655477376e-14 1.52206778976e-14 ] [ -6.08827115904e-15 1.570133088384e-14 -1.089480102144e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.435516 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992389300278433e-18 } }