{ "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" [ [ 2.487281 5.921696 4.58109 ] [ 2.384555 3.657598 3.132891 ] [ 3.419185 2.494172 4.950415 ] [ 4.429689 2.154563 3.12196 ] [ 4.178368 4.562199 4.289341 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.487281e-10 5.921696e-10 4.58109e-10 ] [ 2.384555e-10 3.657598e-10 3.132891e-10 ] [ 3.419185e-10 2.494172e-10 4.950414999999999e-10 ] [ 4.429689e-10 2.154563e-10 3.12196e-10 ] [ 4.178368e-10 4.562199e-10 4.289341000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -24.007432 20.75803 5.117489 ] [ -18.548222 0.1448623 -13.3414953 ] [ -25.9886684 -3.2128346 55.3190838 ] [ 30.9163878 -14.4240667 -48.1711048 ] [ 37.6279346 -3.265991 1.0760274 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.846414627584579e-08 3.325803035986503e-08 8.199121233001171e-09 ] [ -2.971752764580822e-08 2.320949902953159e-10 -2.137543185617308e-08 ] [ -4.163843691620375e-08 -5.14752848261732e-09 8.863094274843603e-08 ] [ 4.953351373274634e-08 -2.310990244359981e-08 -7.717861790866667e-08 ] [ 6.028659710511141e-08 -5.232694423943213e-09 1.72398594362021e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 0.78879172 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.26378365246462e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5097725 6.080391 4.0257861 ] [ 2.0816339 3.5933749 3.4049064 ] [ 3.3718059 2.1064598 5.2308098 ] [ 4.4673661 2.5280192 2.7863051 ] [ 4.4684996 4.4819831 4.6278897 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5097725e-10 6.080391e-10 4.0257861e-10 ] [ 2.0816339e-10 3.5933749e-10 3.4049064e-10 ] [ 3.3718059e-10 2.1064598e-10 5.2308098e-10 ] [ 4.4673661e-10 2.5280192e-10 2.7863051e-10 ] [ 4.4684996e-10 4.4819831e-10 4.6278897e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.2e-06 -3.5e-06 -5.9e-06 ] [ -1.91e-05 7.3e-06 -8e-07 ] [ -6e-07 -2.96e-05 5.9e-06 ] [ 5.7e-06 1.76e-05 1.76e-05 ] [ 4.8e-06 8.3e-06 -1.68e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.474002491136e-14 -5.6076181728e-15 -9.45284206272e-15 ] [ -3.060157345728e-14 1.169588933184e-14 -1.28174129664e-15 ] [ -9.6130597248e-16 -4.742442797568e-14 9.45284206272e-15 ] [ 9.13240673856e-15 2.819830852608e-14 2.819830852608e-14 ] [ 7.69044777984e-15 1.329806595264e-14 -2.691656722944e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.624493 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.663537401725326e-18 } }