{ "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" [ [ 2.264039 2.962814 1.145416 ] [ 2.607686 1.947625 3.138097 ] [ 3.569117 1.227918 0.4731936 ] [ 5.155867 2.512325 3.932817 ] [ 4.543954 3.206398 1.939601 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.264039e-10 2.962814e-10 1.145416e-10 ] [ 2.607686e-10 1.947625e-10 3.138097e-10 ] [ 3.569117e-10 1.227918e-10 4.731936e-11 ] [ 5.155867e-10 2.512325e-10 3.932817e-10 ] [ 4.543954e-10 3.206398e-10 1.939601e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.8901689 3.6669727 -4.3988102 ] [ 5.0000324 -1.2929932 7.9327961 ] [ 2.7916532 -1.6603774 -1.2218385 ] [ -6.3971007 -1.9887706 -0.7284032 ] [ 6.4955841 1.2751685 -1.583744 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.264144414574325e-08 5.875137929051852e-09 -7.047670861776572e-09 ] [ 8.010935014522514e-09 -2.071603475893378e-09 1.270974044899342e-08 ] [ 4.472721490421506e-09 -2.66021785198469e-09 -1.957601079093341e-09 ] [ -1.024928518244331e-08 -3.186361759454389e-09 -1.167030577555907e-09 ] [ 1.040707298346021e-08 2.043045158280605e-09 -2.537437610132275e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.943664 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.073803584829061e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0588577 2.3967041 1.2872047 ] [ 2.6491712 2.7328082 3.5672285 ] [ 3.8865333 1.5663751 -0.0313131 ] [ 4.9370563 2.1643028 4.0263196 ] [ 4.6090445 2.9968898 1.7796849 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0588577e-10 2.3967041e-10 1.2872047e-10 ] [ 2.6491712e-10 2.7328082e-10 3.5672285e-10 ] [ 3.8865333e-10 1.5663751e-10 -3.13131e-12 ] [ 4.9370563e-10 2.1643028e-10 4.0263196e-10 ] [ 4.609044500000001e-10 2.9968898e-10 1.7796849e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.18e-05 2.98e-05 3.6e-06 ] [ -2.14e-05 -2.36e-05 1.52e-05 ] [ -1.05e-05 -2.12e-05 -6.55e-05 ] [ 1.59e-05 4.47e-05 6.9e-06 ] [ 4.2e-06 -2.97e-05 3.98e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.890568412544e-14 4.774486329984001e-14 5.76783583488e-15 ] [ -3.428657968511999e-14 -3.781136825088e-14 2.435308463616e-14 ] [ -1.68228545184e-14 -3.396614436096001e-14 -1.049425686624e-13 ] [ 2.547460827072e-14 7.161729494976001e-14 1.105501868352e-14 ] [ 6.72914180736e-15 -4.758464563776e-14 6.376662950784e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.983578 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.560851498833322e-18 } }